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Showing metabocard for Human hypercalcemia factor (HMDB0256917)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 5.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Status | Detected but not Quantified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Creation Date | 2021-09-11 17:32:42 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Update Date | 2021-09-26 23:12:55 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | HMDB0256917 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Metabolite Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Human hypercalcemia factor | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Based on a literature review very few articles have been published on 4-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(6-amino-2-{[2-({6-amino-2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxypropylidene)amino]-1-hydroxy-3-methylbutylidene}amino)-1,3-dihydroxypropylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-3-carboxy-1-hydroxypropylidene)amino]-1-hydroxyhexylidene}amino)-1-hydroxyethylidene]amino}-1-hydroxyhexylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxy-3-methylpentylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-5-carbamimidamido-1-hydroxypentylidene)amino]-5-carbamimidamido-1-hydroxypentylidene}amino)-5-carbamimidamido-1-hydroxypentylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-(1H-imidazol-5-yl)propylidene)amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene}amino)-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-3-methylpentylidene)amino]-1-hydroxypropylidene}amino)-4-[(1-{[1-({1-[(1-carboxyethyl)-C-hydroxycarbonimidoyl]-2-hydroxypropyl}-C-hydroxycarbonimidoyl)-2-(1H-imidazol-5-yl)ethyl]-C-hydroxycarbonimidoyl}-2-methylbutyl)-C-hydroxycarbonimidoyl]butanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Human hypercalcemia factor is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Human hypercalcemia factor is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for HMDB0256917 (Human hypercalcemia factor)
Mrv1652309112119332D
285291 0 0 0 0 999 V2000
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49.9738 -25.6519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
52.1564 -24.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
52.8709 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
52.8709 -25.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
53.5853 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
53.5853 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
52.8709 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
52.8709 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
53.5853 -21.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
52.1564 -21.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
54.2998 -24.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
55.0143 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
55.0143 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
55.7287 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
55.7287 -25.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
55.0143 -25.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
56.4432 -24.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
57.1577 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
57.1577 -25.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
57.8721 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
57.8721 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
58.5866 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
57.1577 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
58.5866 -24.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
59.3011 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
59.3011 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
60.0156 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
60.7300 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
60.0156 -25.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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283284 1 0 0 0 0
283285 1 0 0 0 0
M END
3D MOL for HMDB0256917 (Human hypercalcemia factor)HMDB0256917
RDKit 3D
Human hypercalcemia factor
572578 0 0 0 0 0 0 0 0999 V2000
-5.4732 1.5085 10.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4250 3.0052 9.8589 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4776 3.2699 8.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7305 4.8323 8.7961 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7586 3.1751 7.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8807 4.2565 7.3207 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5663 4.5889 7.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 3.7331 7.5202 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2201 6.0222 7.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 6.2841 8.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 6.1835 9.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 6.2782 11.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9199 7.5378 9.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3933 6.4584 6.2354 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 6.1901 5.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 5.4141 6.5911 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 7.0837 4.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 8.4072 5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 9.6277 4.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 9.9545 4.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0766 11.0493 4.0097 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 11.4759 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 10.5425 4.3083 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 6.7308 4.4912 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5489 7.2048 3.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 8.0267 2.6197 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9569 6.5210 3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0309 7.2178 4.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6599 8.2238 3.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2220 9.4020 2.6762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2054 9.8510 1.8699 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2104 9.0076 1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9422 7.9918 2.6463 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0042 6.1597 1.9271 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2351 6.0172 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3202 6.3050 0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4591 5.0771 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3052 3.6723 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5340 3.3912 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9309 1.9316 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9556 4.0442 1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 5.0171 -1.1217 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 4.0024 -2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1395 3.3355 -2.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0303 3.9947 -3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 4.9308 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3766 4.7450 -3.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8898 3.4795 -3.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 3.4034 -4.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 4.5029 -4.9144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 5.7750 -4.7669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 5.8653 -4.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 3.3435 -4.2754 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3588 4.2458 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 5.4017 -5.0819 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6810 3.9208 -6.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 2.4567 -6.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6176 2.0501 -7.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 0.8269 -7.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3653 0.3452 -7.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2220 1.2347 -8.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 2.4536 -8.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3998 2.9214 -8.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5432 4.6966 -7.5343 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5830 6.1157 -7.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 6.6468 -6.5019 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5316 6.9705 -8.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 7.1172 -9.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2536 8.0444 -10.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6919 7.7440 -10.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4981 8.6481 -10.9565 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8953 8.2967 -10.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5071 8.1142 -12.0474 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5108 8.0854 -9.6836 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4337 7.7355 -7.3616 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4479 7.7171 -5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6092 7.4278 -5.1551 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8811 7.9882 -5.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5715 8.3508 -3.8406 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8102 9.5844 -3.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7129 9.8273 -2.9928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7748 10.2950 -1.6597 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 10.3178 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9004 11.4512 -1.1246 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9194 9.1082 -0.5792 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2423 6.5588 -5.1034 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0014 5.8526 -6.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3122 6.3349 -7.1544 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2991 4.4276 -5.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0624 4.4607 -4.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4309 5.0849 -4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1717 5.4484 -3.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2895 5.9180 -2.4356 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6253 5.5502 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5776 6.4297 -0.1475 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9281 4.2088 -0.8382 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5393 3.4871 -6.2110 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8132 2.0804 -6.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8261 1.5922 -6.0559 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7746 1.4932 -7.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3997 2.3152 -8.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 2.3256 -9.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2340 3.1429 -10.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4597 3.0626 -9.8699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0587 0.3313 -7.4126 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -1.0152 -7.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4079 -1.2962 -6.5472 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5548 -2.0102 -7.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1630 -1.5520 -9.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1896 -0.5152 -9.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 0.5802 -9.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -0.7813 -8.6957 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6885 -2.8390 -7.1771 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 -3.9789 -7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -4.1323 -9.0448 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2303 -4.8313 -7.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -5.9389 -7.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3549 -7.0930 -8.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 -8.1993 -8.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -9.3953 -7.5970 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -7.9509 -9.0063 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 -4.4063 -6.0708 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -5.5457 -5.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8652 -6.6321 -5.3810 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4286 -5.4367 -3.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 -5.8595 -2.4844 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 -5.8396 -1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 -5.9071 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2787 -5.5317 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 -6.6215 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9566 -6.7649 1.4564 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 -4.3550 0.2841 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5896 -3.4376 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 -3.6255 1.7468 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3542 -2.2799 1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7975 -2.2084 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3192 -2.9696 2.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7216 -2.4066 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4210 -3.2534 4.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7261 -2.6888 4.5234 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 -0.9920 1.1879 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 0.2228 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 0.5061 3.0344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1636 1.2995 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4446 2.4315 1.4731 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3991 3.1683 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4974 2.7110 -0.5523 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0692 4.2851 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3475 5.4768 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 5.1798 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5416 6.5004 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5054 7.2940 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6796 8.6151 -1.3314 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4478 3.7655 1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3250 4.5286 2.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 5.7153 2.5525 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6518 3.7608 2.7258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9223 2.5566 3.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6426 2.8667 3.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 3.9880 4.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 1.7394 4.2609 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1290 3.2749 1.4498 N 0 0 0 0 0 0 0 0 0 0 0 0
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11.0456 -0.9280 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.5928 -5.6156 9.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6752 -4.3325 8.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.2913 -6.9156 9.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.5259 -8.3840 6.5516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3834 -10.0752 5.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5904 -10.3240 4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5960 -8.7737 4.2547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8898 -10.9030 6.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8942 -9.8060 7.5861 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1572 -9.6142 6.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4256 -5.8781 -2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2334 -8.1960 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7423 -8.6399 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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283566 1 0
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284568 1 0
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285570 1 0
285571 1 0
285572 1 0
M END
3D SDF for HMDB0256917 (Human hypercalcemia factor)
Mrv1652309112119332D
285291 0 0 0 0 999 V2000
-3.5724 -26.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -25.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -24.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1447 -23.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8984 -23.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4504 -22.8225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0379 -22.1080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2309 -22.2795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.1447 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1447 -25.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8592 -24.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5737 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5737 -25.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2881 -25.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8592 -25.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2881 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2881 -23.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0026 -24.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.7171 -24.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7171 -23.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4315 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.1460 -24.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.4315 -25.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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141143 1 0 0 0 0
136144 1 0 0 0 0
144145 1 0 0 0 0
145146 2 0 0 0 0
145147 1 0 0 0 0
147148 1 0 0 0 0
148149 1 0 0 0 0
149150 1 0 0 0 0
149151 1 0 0 0 0
147152 1 0 0 0 0
152153 1 0 0 0 0
153154 2 0 0 0 0
153155 1 0 0 0 0
155156 1 0 0 0 0
156157 1 0 0 0 0
157158 2 0 0 0 0
157159 1 0 0 0 0
155160 1 0 0 0 0
160161 1 0 0 0 0
161162 2 0 0 0 0
161163 1 0 0 0 0
163164 1 0 0 0 0
164165 1 0 0 0 0
165166 1 0 0 0 0
166167 2 0 0 0 0
166168 1 0 0 0 0
163169 1 0 0 0 0
169170 1 0 0 0 0
170171 2 0 0 0 0
170172 1 0 0 0 0
172173 1 0 0 0 0
173174 1 0 0 0 0
173175 1 0 0 0 0
175176 1 0 0 0 0
172177 1 0 0 0 0
177178 1 0 0 0 0
178179 2 0 0 0 0
178180 1 0 0 0 0
180181 1 0 0 0 0
181182 1 0 0 0 0
180183 1 0 0 0 0
183184 1 0 0 0 0
184185 2 0 0 0 0
184186 1 0 0 0 0
186187 1 0 0 0 0
187188 1 0 0 0 0
188189 1 0 0 0 0
189190 1 0 0 0 0
190191 1 0 0 0 0
186192 1 0 0 0 0
192193 1 0 0 0 0
193194 2 0 0 0 0
193195 1 0 0 0 0
195196 1 0 0 0 0
196197 1 0 0 0 0
197198 2 0 0 0 0
197199 1 0 0 0 0
199200 1 0 0 0 0
200201 1 0 0 0 0
201202 1 0 0 0 0
202203 1 0 0 0 0
203204 1 0 0 0 0
199205 1 0 0 0 0
205206 1 0 0 0 0
206207 2 0 0 0 0
206208 1 0 0 0 0
208209 1 0 0 0 0
209210 1 0 0 0 0
210211 2 0 0 0 0
210212 1 0 0 0 0
208213 1 0 0 0 0
213214 1 0 0 0 0
214215 2 0 0 0 0
214216 1 0 0 0 0
216217 1 0 0 0 0
217218 1 0 0 0 0
218219 2 0 0 0 0
219220 1 0 0 0 0
220221 2 0 0 0 0
221222 1 0 0 0 0
218222 1 0 0 0 0
216223 1 0 0 0 0
223224 1 0 0 0 0
224225 2 0 0 0 0
224226 1 0 0 0 0
226227 1 0 0 0 0
227228 1 0 0 0 0
228229 1 0 0 0 0
228230 1 0 0 0 0
226231 1 0 0 0 0
231232 1 0 0 0 0
232233 2 0 0 0 0
232234 1 0 0 0 0
234235 1 0 0 0 0
235236 1 0 0 0 0
236237 1 0 0 0 0
236238 1 0 0 0 0
234239 1 0 0 0 0
239240 1 0 0 0 0
240241 2 0 0 0 0
240242 1 0 0 0 0
242243 1 0 0 0 0
243244 1 0 0 0 0
244245 1 0 0 0 0
245246 2 0 0 0 0
245247 1 0 0 0 0
242248 1 0 0 0 0
248249 1 0 0 0 0
249250 2 0 0 0 0
249251 1 0 0 0 0
251252 1 0 0 0 0
252253 1 0 0 0 0
253254 2 0 0 0 0
254255 1 0 0 0 0
255256 2 0 0 0 0
256257 1 0 0 0 0
253257 1 0 0 0 0
251258 1 0 0 0 0
258259 1 0 0 0 0
259260 2 0 0 0 0
259261 1 0 0 0 0
261262 1 0 0 0 0
262263 1 0 0 0 0
263264 1 0 0 0 0
264265 2 0 0 0 0
264266 1 0 0 0 0
261267 1 0 0 0 0
267268 1 0 0 0 0
268269 2 0 0 0 0
268270 1 0 0 0 0
270271 1 0 0 0 0
271272 1 0 0 0 0
270273 1 0 0 0 0
273274 1 0 0 0 0
274275 2 0 0 0 0
274276 1 0 0 0 0
276277 1 0 0 0 0
277278 1 0 0 0 0
277279 1 0 0 0 0
276280 1 0 0 0 0
280281 1 0 0 0 0
281282 2 0 0 0 0
281283 1 0 0 0 0
283284 1 0 0 0 0
283285 1 0 0 0 0
M END
> <DATABASE_ID>
HMDB0256917
> <DATABASE_NAME>
hmdb
> <SMILES>
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)N)C(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(C)C(O)=O
> <INCHI_IDENTIFIER>
InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199)
> <INCHI_KEY>
ZOWOHMFPXMYFKJ-UHFFFAOYSA-N
> <FORMULA>
C180H287N57O48
> <MOLECULAR_WEIGHT>
4017.627
> <EXACT_MASS>
4015.176904229
> <JCHEM_ACCEPTOR_COUNT>
65
> <JCHEM_ATOM_COUNT>
572
> <JCHEM_AVERAGE_POLARIZABILITY>
419.5089841502504
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
60
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_LOGP>
-23.756228241228413
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
5
> <JCHEM_PKA>
3.2022762510873943
> <JCHEM_PKA_STRONGEST_ACIDIC>
2.795188464511862
> <JCHEM_PKA_STRONGEST_BASIC>
12.377618711286383
> <JCHEM_POLAR_SURFACE_AREA>
1700.8299999999988
> <JCHEM_REFRACTIVITY>
1044.8460000000011
> <JCHEM_ROTATABLE_BOND_COUNT>
137
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for HMDB0256917 (Human hypercalcemia factor)HMDB0256917
RDKit 3D
Human hypercalcemia factor
572578 0 0 0 0 0 0 0 0999 V2000
-5.4732 1.5085 10.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4250 3.0052 9.8589 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4776 3.2699 8.8034 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7305 4.8323 8.7961 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7586 3.1751 7.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8807 4.2565 7.3207 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5663 4.5889 7.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6230 3.7331 7.5202 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2201 6.0222 7.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3563 6.2841 8.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1176 6.1835 9.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 6.2782 11.0375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9199 7.5378 9.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3933 6.4584 6.2354 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 6.1901 5.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 5.4141 6.5911 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5580 7.0837 4.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4661 8.4072 5.6820 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6757 9.6277 4.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0481 9.9545 4.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0766 11.0493 4.0097 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8013 11.4759 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 10.5425 4.3083 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7438 6.7308 4.4912 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5489 7.2048 3.3672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0990 8.0267 2.6197 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9569 6.5210 3.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0309 7.2178 4.0108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6599 8.2238 3.1438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2220 9.4020 2.6762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2054 9.8510 1.8699 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2104 9.0076 1.8638 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9422 7.9918 2.6463 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0042 6.1597 1.9271 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2351 6.0172 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3202 6.3050 0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4591 5.0771 0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3052 3.6723 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5340 3.3912 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9309 1.9316 1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9556 4.0442 1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 5.0171 -1.1217 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1306 4.0024 -2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1395 3.3355 -2.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0303 3.9947 -3.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 4.9308 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3766 4.7450 -3.4878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8898 3.4795 -3.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0804 3.4034 -4.3673 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 4.5029 -4.9144 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 5.7750 -4.7669 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 5.8653 -4.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 3.3435 -4.2754 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3588 4.2458 -5.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6253 5.4017 -5.0819 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6810 3.9208 -6.5959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 2.4567 -6.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6176 2.0501 -7.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 0.8269 -7.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3653 0.3452 -7.3407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2220 1.2347 -8.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 2.4536 -8.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3998 2.9214 -8.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5432 4.6966 -7.5343 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5830 6.1157 -7.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8887 6.6468 -6.5019 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5316 6.9705 -8.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3065 7.1172 -9.5818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2536 8.0444 -10.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6919 7.7440 -10.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4981 8.6481 -10.9565 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8953 8.2967 -10.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5071 8.1142 -12.0474 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5108 8.0854 -9.6836 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4337 7.7355 -7.3616 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4479 7.7171 -5.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6092 7.4278 -5.1551 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8811 7.9882 -5.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5715 8.3508 -3.8406 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8102 9.5844 -3.8673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7129 9.8273 -2.9928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7748 10.2950 -1.6597 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3873 10.3178 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9004 11.4512 -1.1246 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9194 9.1082 -0.5792 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2423 6.5588 -5.1034 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0014 5.8526 -6.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3122 6.3349 -7.1544 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2991 4.4276 -5.6468 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0624 4.4607 -4.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4309 5.0849 -4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1717 5.4484 -3.4662 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2895 5.9180 -2.4356 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6253 5.5502 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5776 6.4297 -0.1475 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9281 4.2088 -0.8382 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5393 3.4871 -6.2110 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8132 2.0804 -6.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8261 1.5922 -6.0559 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7746 1.4932 -7.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3997 2.3152 -8.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1783 2.3256 -9.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2340 3.1429 -10.7386 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4597 3.0626 -9.8699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0587 0.3313 -7.4126 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -1.0152 -7.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4079 -1.2962 -6.5472 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5548 -2.0102 -7.8154 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1630 -1.5520 -9.2394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1896 -0.5152 -9.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 0.5802 -9.8944 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9085 -0.7813 -8.6957 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6885 -2.8390 -7.1771 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 -3.9789 -7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3200 -4.1323 -9.0448 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2303 -4.8313 -7.0816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -5.9389 -7.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3549 -7.0930 -8.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2539 -8.1993 -8.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -9.3953 -7.5970 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7055 -7.9509 -9.0063 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3426 -4.4063 -6.0708 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2524 -5.5457 -5.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8652 -6.6321 -5.3810 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4286 -5.4367 -3.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 -5.8595 -2.4844 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8951 -5.8396 -1.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0038 -5.9071 -1.6140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2787 -5.5317 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2627 -6.6215 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9566 -6.7649 1.4564 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9840 -4.3550 0.2841 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5896 -3.4376 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5797 -3.6255 1.7468 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3542 -2.2799 1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7975 -2.2084 1.7588 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3192 -2.9696 2.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7216 -2.4066 3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4210 -3.2534 4.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7261 -2.6888 4.5234 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 -0.9920 1.1879 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 0.2228 1.8666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8866 0.5061 3.0344 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1636 1.2995 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4446 2.4315 1.4731 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3991 3.1683 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4974 2.7110 -0.5523 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0692 4.2851 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3475 5.4768 0.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1948 5.1798 -0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5416 6.5004 -1.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5054 7.2940 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6796 8.6151 -1.3314 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4478 3.7655 1.4680 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3250 4.5286 2.1998 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2704 5.7153 2.5525 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6518 3.7608 2.7258 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9223 2.5566 3.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6426 2.8667 3.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2222 3.9880 4.2352 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 1.7394 4.2609 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1290 3.2749 1.4498 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.6172 3.8105 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8268 5.1565 0.3601 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8528 3.2793 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3382 3.2305 -1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5749 3.3360 -2.7333 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7053 4.0052 -3.6045 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4007 4.0211 -4.7893 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.5467 3.3403 -4.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for HMDB0256917 (Human hypercalcemia factor)HEADER PROTEIN 11-SEP-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 11-SEP-21 0 HETATM 1 C UNK 0 -6.668 -50.050 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -6.668 -48.510 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -8.002 -47.740 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.336 -48.510 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 -8.002 -46.200 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 -9.336 -45.430 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 -9.336 -43.890 0.000 0.00 0.00 O+0 HETATM 8 N UNK 0 -10.669 -46.200 0.000 0.00 0.00 N+0 HETATM 9 C UNK 0 -12.003 -45.430 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -12.003 -43.890 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -13.337 -43.120 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -14.744 -43.746 0.000 0.00 0.00 C+0 HETATM 13 N UNK 0 -15.774 -42.602 0.000 0.00 0.00 N+0 HETATM 14 C UNK 0 -15.004 -41.268 0.000 0.00 0.00 C+0 HETATM 15 N UNK 0 -13.498 -41.588 0.000 0.00 0.00 N+0 HETATM 16 C UNK 0 -13.337 -46.200 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 -13.337 -47.740 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 -14.670 -45.430 0.000 0.00 0.00 N+0 HETATM 19 C UNK 0 -16.004 -46.200 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -16.004 -47.740 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -17.338 -48.510 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -14.670 -48.510 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -17.338 -45.430 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 -17.338 -43.890 0.000 0.00 0.00 O+0 HETATM 25 N UNK 0 -18.672 -46.200 0.000 0.00 0.00 N+0 HETATM 26 C UNK 0 -20.005 -45.430 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -20.005 -43.890 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -21.339 -46.200 0.000 0.00 0.00 C+0 HETATM 29 O UNK 0 -22.673 -45.430 0.000 0.00 0.00 O+0 HETATM 30 O UNK 0 -21.339 -47.740 0.000 0.00 0.00 O+0 HETATM 31 N UNK 0 -6.668 -45.430 0.000 0.00 0.00 N+0 HETATM 32 C UNK 0 -5.335 -46.200 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -5.335 -47.740 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -4.001 -45.430 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 -4.001 -43.890 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.667 -43.120 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.667 -41.580 0.000 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.001 -40.810 0.000 0.00 0.00 O+0 HETATM 39 O UNK 0 -1.334 -40.810 0.000 0.00 0.00 O+0 HETATM 40 N UNK 0 -2.667 -46.200 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 -1.334 -45.430 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 -1.334 -43.890 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 0.000 -46.200 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 0.000 -47.740 0.000 0.00 0.00 C+0 HETATM 45 N UNK 0 1.334 -45.430 0.000 0.00 0.00 N+0 HETATM 46 C UNK 0 2.667 -46.200 0.000 0.00 0.00 C+0 HETATM 47 O UNK 0 2.667 -47.740 0.000 0.00 0.00 O+0 HETATM 48 C UNK 0 4.001 -45.430 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 4.001 -43.890 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 5.335 -43.120 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 2.667 -43.120 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 2.667 -41.580 0.000 0.00 0.00 C+0 HETATM 53 N UNK 0 5.335 -46.200 0.000 0.00 0.00 N+0 HETATM 54 C UNK 0 6.668 -45.430 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 6.668 -43.890 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 8.002 -46.200 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 8.002 -47.740 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 6.668 -48.510 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 6.668 -50.050 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 5.335 -47.740 0.000 0.00 0.00 C+0 HETATM 61 N UNK 0 9.336 -45.430 0.000 0.00 0.00 N+0 HETATM 62 C UNK 0 10.669 -46.200 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 10.669 -47.740 0.000 0.00 0.00 O+0 HETATM 64 C UNK 0 12.003 -45.430 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 12.003 -43.890 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 10.669 -43.120 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 9.263 -43.746 0.000 0.00 0.00 C+0 HETATM 68 N UNK 0 8.232 -42.602 0.000 0.00 0.00 N+0 HETATM 69 C UNK 0 9.002 -41.268 0.000 0.00 0.00 C+0 HETATM 70 N UNK 0 10.508 -41.588 0.000 0.00 0.00 N+0 HETATM 71 N UNK 0 13.337 -46.200 0.000 0.00 0.00 N+0 HETATM 72 C UNK 0 14.670 -45.430 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 14.670 -43.890 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 16.004 -46.200 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 16.004 -47.740 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 14.670 -48.510 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 14.509 -50.042 0.000 0.00 0.00 C+0 HETATM 78 N UNK 0 13.003 -50.362 0.000 0.00 0.00 N+0 HETATM 79 C UNK 0 12.233 -49.028 0.000 0.00 0.00 C+0 HETATM 80 N UNK 0 13.264 -47.884 0.000 0.00 0.00 N+0 HETATM 81 N UNK 0 17.338 -45.430 0.000 0.00 0.00 N+0 HETATM 82 C UNK 0 18.672 -46.200 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 18.672 -47.740 0.000 0.00 0.00 O+0 HETATM 84 C UNK 0 20.005 -45.430 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 20.005 -43.890 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 18.672 -43.120 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 17.338 -43.890 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 18.672 -41.580 0.000 0.00 0.00 C+0 HETATM 89 N UNK 0 21.339 -46.200 0.000 0.00 0.00 N+0 HETATM 90 C UNK 0 22.673 -45.430 0.000 0.00 0.00 C+0 HETATM 91 O UNK 0 22.673 -43.890 0.000 0.00 0.00 O+0 HETATM 92 C UNK 0 24.006 -46.200 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 24.006 -47.740 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 22.673 -48.510 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 22.673 -50.050 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 21.339 -50.820 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 20.005 -50.050 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 20.005 -48.510 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 21.339 -47.740 0.000 0.00 0.00 C+0 HETATM 100 N UNK 0 25.340 -45.430 0.000 0.00 0.00 N+0 HETATM 101 C UNK 0 26.674 -46.200 0.000 0.00 0.00 C+0 HETATM 102 O UNK 0 26.674 -47.740 0.000 0.00 0.00 O+0 HETATM 103 C UNK 0 28.007 -45.430 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 28.007 -43.890 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 29.341 -43.120 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 29.341 -41.580 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 30.675 -40.810 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 32.008 -41.580 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 32.008 -43.120 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 30.675 -43.890 0.000 0.00 0.00 C+0 HETATM 111 N UNK 0 29.341 -46.200 0.000 0.00 0.00 N+0 HETATM 112 C UNK 0 30.675 -45.430 0.000 0.00 0.00 C+0 HETATM 113 O UNK 0 31.580 -44.184 0.000 0.00 0.00 O+0 HETATM 114 C UNK 0 32.008 -46.200 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 32.008 -47.740 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 30.675 -48.510 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 30.675 -50.050 0.000 0.00 0.00 C+0 HETATM 118 N UNK 0 29.341 -50.820 0.000 0.00 0.00 N+0 HETATM 119 C UNK 0 29.341 -52.360 0.000 0.00 0.00 C+0 HETATM 120 N UNK 0 30.675 -53.130 0.000 0.00 0.00 N+0 HETATM 121 N UNK 0 28.007 -53.130 0.000 0.00 0.00 N+0 HETATM 122 N UNK 0 33.342 -45.430 0.000 0.00 0.00 N+0 HETATM 123 C UNK 0 34.676 -46.200 0.000 0.00 0.00 C+0 HETATM 124 O UNK 0 34.676 -47.740 0.000 0.00 0.00 O+0 HETATM 125 C UNK 0 36.009 -45.430 0.000 0.00 0.00 C+0 HETATM 126 C UNK 0 36.009 -43.890 0.000 0.00 0.00 C+0 HETATM 127 C UNK 0 37.343 -43.120 0.000 0.00 0.00 C+0 HETATM 128 C UNK 0 37.343 -41.580 0.000 0.00 0.00 C+0 HETATM 129 N UNK 0 38.677 -40.810 0.000 0.00 0.00 N+0 HETATM 130 C UNK 0 38.677 -39.270 0.000 0.00 0.00 C+0 HETATM 131 N UNK 0 37.343 -38.500 0.000 0.00 0.00 N+0 HETATM 132 N UNK 0 40.010 -38.500 0.000 0.00 0.00 N+0 HETATM 133 N UNK 0 37.343 -46.200 0.000 0.00 0.00 N+0 HETATM 134 C UNK 0 38.677 -45.430 0.000 0.00 0.00 C+0 HETATM 135 O UNK 0 38.677 -43.890 0.000 0.00 0.00 O+0 HETATM 136 C UNK 0 40.010 -46.200 0.000 0.00 0.00 C+0 HETATM 137 C UNK 0 40.010 -47.740 0.000 0.00 0.00 C+0 HETATM 138 C UNK 0 38.677 -48.510 0.000 0.00 0.00 C+0 HETATM 139 C UNK 0 38.677 -50.050 0.000 0.00 0.00 C+0 HETATM 140 N UNK 0 37.343 -50.820 0.000 0.00 0.00 N+0 HETATM 141 C UNK 0 37.343 -52.360 0.000 0.00 0.00 C+0 HETATM 142 N UNK 0 38.677 -53.130 0.000 0.00 0.00 N+0 HETATM 143 N UNK 0 36.009 -53.130 0.000 0.00 0.00 N+0 HETATM 144 N UNK 0 41.344 -45.430 0.000 0.00 0.00 N+0 HETATM 145 C UNK 0 42.678 -46.200 0.000 0.00 0.00 C+0 HETATM 146 O UNK 0 42.678 -47.740 0.000 0.00 0.00 O+0 HETATM 147 C UNK 0 44.011 -45.430 0.000 0.00 0.00 C+0 HETATM 148 C UNK 0 44.011 -43.890 0.000 0.00 0.00 C+0 HETATM 149 C UNK 0 42.678 -43.120 0.000 0.00 0.00 C+0 HETATM 150 C UNK 0 41.344 -43.890 0.000 0.00 0.00 C+0 HETATM 151 C UNK 0 42.678 -41.580 0.000 0.00 0.00 C+0 HETATM 152 N UNK 0 45.345 -46.200 0.000 0.00 0.00 N+0 HETATM 153 C UNK 0 46.679 -45.430 0.000 0.00 0.00 C+0 HETATM 154 O UNK 0 46.679 -43.890 0.000 0.00 0.00 O+0 HETATM 155 C UNK 0 48.012 -46.200 0.000 0.00 0.00 C+0 HETATM 156 C UNK 0 48.012 -47.740 0.000 0.00 0.00 C+0 HETATM 157 C UNK 0 46.679 -48.510 0.000 0.00 0.00 C+0 HETATM 158 O UNK 0 46.679 -50.050 0.000 0.00 0.00 O+0 HETATM 159 O UNK 0 45.345 -47.740 0.000 0.00 0.00 O+0 HETATM 160 N UNK 0 49.346 -45.430 0.000 0.00 0.00 N+0 HETATM 161 C UNK 0 50.680 -46.200 0.000 0.00 0.00 C+0 HETATM 162 O UNK 0 50.680 -47.740 0.000 0.00 0.00 O+0 HETATM 163 C UNK 0 52.013 -45.430 0.000 0.00 0.00 C+0 HETATM 164 C UNK 0 52.013 -43.890 0.000 0.00 0.00 C+0 HETATM 165 C UNK 0 50.680 -43.120 0.000 0.00 0.00 C+0 HETATM 166 C UNK 0 50.680 -41.580 0.000 0.00 0.00 C+0 HETATM 167 O UNK 0 49.346 -40.810 0.000 0.00 0.00 O+0 HETATM 168 N UNK 0 52.013 -40.810 0.000 0.00 0.00 N+0 HETATM 169 N UNK 0 53.347 -46.200 0.000 0.00 0.00 N+0 HETATM 170 C UNK 0 54.681 -45.430 0.000 0.00 0.00 C+0 HETATM 171 O UNK 0 54.681 -43.890 0.000 0.00 0.00 O+0 HETATM 172 C UNK 0 56.015 -46.200 0.000 0.00 0.00 C+0 HETATM 173 C UNK 0 56.015 -47.740 0.000 0.00 0.00 C+0 HETATM 174 C UNK 0 57.348 -48.510 0.000 0.00 0.00 C+0 HETATM 175 C UNK 0 54.681 -48.510 0.000 0.00 0.00 C+0 HETATM 176 C UNK 0 54.681 -50.050 0.000 0.00 0.00 C+0 HETATM 177 N UNK 0 57.348 -45.430 0.000 0.00 0.00 N+0 HETATM 178 C UNK 0 58.682 -46.200 0.000 0.00 0.00 C+0 HETATM 179 O UNK 0 58.682 -47.740 0.000 0.00 0.00 O+0 HETATM 180 C UNK 0 60.016 -45.430 0.000 0.00 0.00 C+0 HETATM 181 C UNK 0 60.016 -43.890 0.000 0.00 0.00 C+0 HETATM 182 O UNK 0 58.682 -43.120 0.000 0.00 0.00 O+0 HETATM 183 N UNK 0 61.349 -46.200 0.000 0.00 0.00 N+0 HETATM 184 C UNK 0 62.683 -45.430 0.000 0.00 0.00 C+0 HETATM 185 O UNK 0 62.683 -43.890 0.000 0.00 0.00 O+0 HETATM 186 C UNK 0 64.017 -46.200 0.000 0.00 0.00 C+0 HETATM 187 C UNK 0 64.017 -47.740 0.000 0.00 0.00 C+0 HETATM 188 C UNK 0 65.350 -48.510 0.000 0.00 0.00 C+0 HETATM 189 C UNK 0 65.350 -50.050 0.000 0.00 0.00 C+0 HETATM 190 C UNK 0 66.684 -50.820 0.000 0.00 0.00 C+0 HETATM 191 N UNK 0 66.684 -52.360 0.000 0.00 0.00 N+0 HETATM 192 N UNK 0 65.350 -45.430 0.000 0.00 0.00 N+0 HETATM 193 C UNK 0 66.684 -46.200 0.000 0.00 0.00 C+0 HETATM 194 O UNK 0 66.684 -47.740 0.000 0.00 0.00 O+0 HETATM 195 C UNK 0 68.018 -45.430 0.000 0.00 0.00 C+0 HETATM 196 N UNK 0 69.351 -46.200 0.000 0.00 0.00 N+0 HETATM 197 C UNK 0 70.685 -45.430 0.000 0.00 0.00 C+0 HETATM 198 O UNK 0 70.685 -43.890 0.000 0.00 0.00 O+0 HETATM 199 C UNK 0 72.019 -46.200 0.000 0.00 0.00 C+0 HETATM 200 C UNK 0 72.019 -47.740 0.000 0.00 0.00 C+0 HETATM 201 C UNK 0 73.352 -48.510 0.000 0.00 0.00 C+0 HETATM 202 C UNK 0 73.352 -50.050 0.000 0.00 0.00 C+0 HETATM 203 C UNK 0 74.686 -50.820 0.000 0.00 0.00 C+0 HETATM 204 N UNK 0 74.686 -52.360 0.000 0.00 0.00 N+0 HETATM 205 N UNK 0 73.352 -45.430 0.000 0.00 0.00 N+0 HETATM 206 C UNK 0 74.686 -46.200 0.000 0.00 0.00 C+0 HETATM 207 O UNK 0 74.686 -47.740 0.000 0.00 0.00 O+0 HETATM 208 C UNK 0 76.020 -45.430 0.000 0.00 0.00 C+0 HETATM 209 C UNK 0 76.020 -43.890 0.000 0.00 0.00 C+0 HETATM 210 C UNK 0 74.686 -43.120 0.000 0.00 0.00 C+0 HETATM 211 O UNK 0 73.352 -43.890 0.000 0.00 0.00 O+0 HETATM 212 O UNK 0 74.686 -41.580 0.000 0.00 0.00 O+0 HETATM 213 N UNK 0 77.353 -46.200 0.000 0.00 0.00 N+0 HETATM 214 C UNK 0 78.687 -45.430 0.000 0.00 0.00 C+0 HETATM 215 O UNK 0 78.687 -43.890 0.000 0.00 0.00 O+0 HETATM 216 C UNK 0 80.021 -46.200 0.000 0.00 0.00 C+0 HETATM 217 C UNK 0 80.021 -47.740 0.000 0.00 0.00 C+0 HETATM 218 C UNK 0 78.687 -48.510 0.000 0.00 0.00 C+0 HETATM 219 C UNK 0 78.526 -50.042 0.000 0.00 0.00 C+0 HETATM 220 N UNK 0 77.020 -50.362 0.000 0.00 0.00 N+0 HETATM 221 C UNK 0 76.250 -49.028 0.000 0.00 0.00 C+0 HETATM 222 N UNK 0 77.280 -47.884 0.000 0.00 0.00 N+0 HETATM 223 N UNK 0 81.354 -45.430 0.000 0.00 0.00 N+0 HETATM 224 C UNK 0 82.688 -46.200 0.000 0.00 0.00 C+0 HETATM 225 O UNK 0 82.688 -47.740 0.000 0.00 0.00 O+0 HETATM 226 C UNK 0 84.022 -45.430 0.000 0.00 0.00 C+0 HETATM 227 C UNK 0 84.022 -43.890 0.000 0.00 0.00 C+0 HETATM 228 C UNK 0 82.688 -43.120 0.000 0.00 0.00 C+0 HETATM 229 C UNK 0 81.354 -43.890 0.000 0.00 0.00 C+0 HETATM 230 C UNK 0 82.688 -41.580 0.000 0.00 0.00 C+0 HETATM 231 N UNK 0 85.355 -46.200 0.000 0.00 0.00 N+0 HETATM 232 C UNK 0 86.689 -45.430 0.000 0.00 0.00 C+0 HETATM 233 O UNK 0 86.689 -43.890 0.000 0.00 0.00 O+0 HETATM 234 C UNK 0 88.023 -46.200 0.000 0.00 0.00 C+0 HETATM 235 C UNK 0 88.023 -47.740 0.000 0.00 0.00 C+0 HETATM 236 C UNK 0 86.689 -48.510 0.000 0.00 0.00 C+0 HETATM 237 C UNK 0 86.689 -50.050 0.000 0.00 0.00 C+0 HETATM 238 C UNK 0 85.355 -47.740 0.000 0.00 0.00 C+0 HETATM 239 N UNK 0 89.357 -45.430 0.000 0.00 0.00 N+0 HETATM 240 C UNK 0 90.690 -46.200 0.000 0.00 0.00 C+0 HETATM 241 O UNK 0 90.690 -47.740 0.000 0.00 0.00 O+0 HETATM 242 C UNK 0 92.024 -45.430 0.000 0.00 0.00 C+0 HETATM 243 C UNK 0 92.024 -43.890 0.000 0.00 0.00 C+0 HETATM 244 C UNK 0 90.690 -43.120 0.000 0.00 0.00 C+0 HETATM 245 C UNK 0 90.690 -41.580 0.000 0.00 0.00 C+0 HETATM 246 O UNK 0 92.024 -40.810 0.000 0.00 0.00 O+0 HETATM 247 N UNK 0 89.357 -40.810 0.000 0.00 0.00 N+0 HETATM 248 N UNK 0 93.358 -46.200 0.000 0.00 0.00 N+0 HETATM 249 C UNK 0 94.691 -45.430 0.000 0.00 0.00 C+0 HETATM 250 O UNK 0 94.691 -43.890 0.000 0.00 0.00 O+0 HETATM 251 C UNK 0 96.025 -46.200 0.000 0.00 0.00 C+0 HETATM 252 C UNK 0 96.025 -47.740 0.000 0.00 0.00 C+0 HETATM 253 C UNK 0 94.691 -48.510 0.000 0.00 0.00 C+0 HETATM 254 C UNK 0 94.530 -50.042 0.000 0.00 0.00 C+0 HETATM 255 N UNK 0 93.024 -50.362 0.000 0.00 0.00 N+0 HETATM 256 C UNK 0 92.254 -49.028 0.000 0.00 0.00 C+0 HETATM 257 N UNK 0 93.284 -47.884 0.000 0.00 0.00 N+0 HETATM 258 N UNK 0 97.359 -45.430 0.000 0.00 0.00 N+0 HETATM 259 C UNK 0 98.692 -46.200 0.000 0.00 0.00 C+0 HETATM 260 O UNK 0 98.692 -47.740 0.000 0.00 0.00 O+0 HETATM 261 C UNK 0 100.026 -45.430 0.000 0.00 0.00 C+0 HETATM 262 C UNK 0 100.026 -43.890 0.000 0.00 0.00 C+0 HETATM 263 C UNK 0 98.692 -43.120 0.000 0.00 0.00 C+0 HETATM 264 C UNK 0 98.692 -41.580 0.000 0.00 0.00 C+0 HETATM 265 O UNK 0 100.026 -40.810 0.000 0.00 0.00 O+0 HETATM 266 O UNK 0 97.359 -40.810 0.000 0.00 0.00 O+0 HETATM 267 N UNK 0 101.360 -46.200 0.000 0.00 0.00 N+0 HETATM 268 C UNK 0 102.693 -45.430 0.000 0.00 0.00 C+0 HETATM 269 O UNK 0 102.693 -43.890 0.000 0.00 0.00 O+0 HETATM 270 C UNK 0 104.027 -46.200 0.000 0.00 0.00 C+0 HETATM 271 C UNK 0 104.027 -47.740 0.000 0.00 0.00 C+0 HETATM 272 O UNK 0 102.693 -48.510 0.000 0.00 0.00 O+0 HETATM 273 N UNK 0 105.361 -45.430 0.000 0.00 0.00 N+0 HETATM 274 C UNK 0 106.694 -46.200 0.000 0.00 0.00 C+0 HETATM 275 O UNK 0 106.694 -47.740 0.000 0.00 0.00 O+0 HETATM 276 C UNK 0 108.028 -45.430 0.000 0.00 0.00 C+0 HETATM 277 C UNK 0 108.028 -43.890 0.000 0.00 0.00 C+0 HETATM 278 C UNK 0 109.362 -43.120 0.000 0.00 0.00 C+0 HETATM 279 C UNK 0 106.694 -43.120 0.000 0.00 0.00 C+0 HETATM 280 N UNK 0 109.362 -46.200 0.000 0.00 0.00 N+0 HETATM 281 C UNK 0 110.695 -45.430 0.000 0.00 0.00 C+0 HETATM 282 O UNK 0 110.695 -43.890 0.000 0.00 0.00 O+0 HETATM 283 C UNK 0 112.029 -46.200 0.000 0.00 0.00 C+0 HETATM 284 C UNK 0 113.363 -45.430 0.000 0.00 0.00 C+0 HETATM 285 N UNK 0 112.029 -47.740 0.000 0.00 0.00 N+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 5 CONECT 4 3 CONECT 5 3 6 31 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 CONECT 9 8 10 16 CONECT 10 9 11 CONECT 11 10 12 15 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 CONECT 15 14 11 CONECT 16 9 17 18 CONECT 17 16 CONECT 18 16 19 CONECT 19 18 20 23 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 CONECT 23 19 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 30 CONECT 29 28 CONECT 30 28 CONECT 31 5 32 CONECT 32 31 33 34 CONECT 33 32 CONECT 34 32 35 40 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 CONECT 40 34 41 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 53 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 CONECT 52 51 CONECT 53 48 54 CONECT 54 53 55 56 CONECT 55 54 CONECT 56 54 57 61 CONECT 57 56 58 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 CONECT 61 56 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 71 CONECT 65 64 66 CONECT 66 65 67 70 CONECT 67 66 68 CONECT 68 67 69 CONECT 69 68 70 CONECT 70 69 66 CONECT 71 64 72 CONECT 72 71 73 74 CONECT 73 72 CONECT 74 72 75 81 CONECT 75 74 76 CONECT 76 75 77 80 CONECT 77 76 78 CONECT 78 77 79 CONECT 79 78 80 CONECT 80 79 76 CONECT 81 74 82 CONECT 82 81 83 84 CONECT 83 82 CONECT 84 82 85 89 CONECT 85 84 86 CONECT 86 85 87 88 CONECT 87 86 CONECT 88 86 CONECT 89 84 90 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 93 100 CONECT 93 92 94 CONECT 94 93 95 99 CONECT 95 94 96 CONECT 96 95 97 CONECT 97 96 98 CONECT 98 97 99 CONECT 99 98 94 CONECT 100 92 101 CONECT 101 100 102 103 CONECT 102 101 CONECT 103 101 104 111 CONECT 104 103 105 CONECT 105 104 106 110 CONECT 106 105 107 CONECT 107 106 108 CONECT 108 107 109 CONECT 109 108 110 CONECT 110 109 105 CONECT 111 103 112 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 115 122 CONECT 115 114 116 CONECT 116 115 117 CONECT 117 116 118 CONECT 118 117 119 CONECT 119 118 120 121 CONECT 120 119 CONECT 121 119 CONECT 122 114 123 CONECT 123 122 124 125 CONECT 124 123 CONECT 125 123 126 133 CONECT 126 125 127 CONECT 127 126 128 CONECT 128 127 129 CONECT 129 128 130 CONECT 130 129 131 132 CONECT 131 130 CONECT 132 130 CONECT 133 125 134 CONECT 134 133 135 136 CONECT 135 134 CONECT 136 134 137 144 CONECT 137 136 138 CONECT 138 137 139 CONECT 139 138 140 CONECT 140 139 141 CONECT 141 140 142 143 CONECT 142 141 CONECT 143 141 CONECT 144 136 145 CONECT 145 144 146 147 CONECT 146 145 CONECT 147 145 148 152 CONECT 148 147 149 CONECT 149 148 150 151 CONECT 150 149 CONECT 151 149 CONECT 152 147 153 CONECT 153 152 154 155 CONECT 154 153 CONECT 155 153 156 160 CONECT 156 155 157 CONECT 157 156 158 159 CONECT 158 157 CONECT 159 157 CONECT 160 155 161 CONECT 161 160 162 163 CONECT 162 161 CONECT 163 161 164 169 CONECT 164 163 165 CONECT 165 164 166 CONECT 166 165 167 168 CONECT 167 166 CONECT 168 166 CONECT 169 163 170 CONECT 170 169 171 172 CONECT 171 170 CONECT 172 170 173 177 CONECT 173 172 174 175 CONECT 174 173 CONECT 175 173 176 CONECT 176 175 CONECT 177 172 178 CONECT 178 177 179 180 CONECT 179 178 CONECT 180 178 181 183 CONECT 181 180 182 CONECT 182 181 CONECT 183 180 184 CONECT 184 183 185 186 CONECT 185 184 CONECT 186 184 187 192 CONECT 187 186 188 CONECT 188 187 189 CONECT 189 188 190 CONECT 190 189 191 CONECT 191 190 CONECT 192 186 193 CONECT 193 192 194 195 CONECT 194 193 CONECT 195 193 196 CONECT 196 195 197 CONECT 197 196 198 199 CONECT 198 197 CONECT 199 197 200 205 CONECT 200 199 201 CONECT 201 200 202 CONECT 202 201 203 CONECT 203 202 204 CONECT 204 203 CONECT 205 199 206 CONECT 206 205 207 208 CONECT 207 206 CONECT 208 206 209 213 CONECT 209 208 210 CONECT 210 209 211 212 CONECT 211 210 CONECT 212 210 CONECT 213 208 214 CONECT 214 213 215 216 CONECT 215 214 CONECT 216 214 217 223 CONECT 217 216 218 CONECT 218 217 219 222 CONECT 219 218 220 CONECT 220 219 221 CONECT 221 220 222 CONECT 222 221 218 CONECT 223 216 224 CONECT 224 223 225 226 CONECT 225 224 CONECT 226 224 227 231 CONECT 227 226 228 CONECT 228 227 229 230 CONECT 229 228 CONECT 230 228 CONECT 231 226 232 CONECT 232 231 233 234 CONECT 233 232 CONECT 234 232 235 239 CONECT 235 234 236 CONECT 236 235 237 238 CONECT 237 236 CONECT 238 236 CONECT 239 234 240 CONECT 240 239 241 242 CONECT 241 240 CONECT 242 240 243 248 CONECT 243 242 244 CONECT 244 243 245 CONECT 245 244 246 247 CONECT 246 245 CONECT 247 245 CONECT 248 242 249 CONECT 249 248 250 251 CONECT 250 249 CONECT 251 249 252 258 CONECT 252 251 253 CONECT 253 252 254 257 CONECT 254 253 255 CONECT 255 254 256 CONECT 256 255 257 CONECT 257 256 253 CONECT 258 251 259 CONECT 259 258 260 261 CONECT 260 259 CONECT 261 259 262 267 CONECT 262 261 263 CONECT 263 262 264 CONECT 264 263 265 266 CONECT 265 264 CONECT 266 264 CONECT 267 261 268 CONECT 268 267 269 270 CONECT 269 268 CONECT 270 268 271 273 CONECT 271 270 272 CONECT 272 271 CONECT 273 270 274 CONECT 274 273 275 276 CONECT 275 274 CONECT 276 274 277 280 CONECT 277 276 278 279 CONECT 278 277 CONECT 279 277 CONECT 280 276 281 CONECT 281 280 282 283 CONECT 282 281 CONECT 283 281 284 285 CONECT 284 283 CONECT 285 283 MASTER 0 0 0 0 0 0 0 0 285 0 582 0 END 3D PDB for HMDB0256917 (Human hypercalcemia factor)COMPND HMDB0256917 HETATM 1 C1 UNL 1 -5.473 1.508 10.162 1.00 0.00 C HETATM 2 C2 UNL 1 -5.425 3.005 9.859 1.00 0.00 C HETATM 3 C3 UNL 1 -6.478 3.270 8.803 1.00 0.00 C HETATM 4 C4 UNL 1 -6.731 4.832 8.796 1.00 0.00 C HETATM 5 C5 UNL 1 -5.759 3.175 7.420 1.00 0.00 C HETATM 6 N1 UNL 1 -4.881 4.257 7.321 1.00 0.00 N HETATM 7 C6 UNL 1 -3.566 4.589 7.370 1.00 0.00 C HETATM 8 O1 UNL 1 -2.623 3.733 7.520 1.00 0.00 O HETATM 9 C7 UNL 1 -3.220 6.022 7.255 1.00 0.00 C HETATM 10 C8 UNL 1 -2.356 6.284 8.573 1.00 0.00 C HETATM 11 C9 UNL 1 -3.118 6.184 9.796 1.00 0.00 C HETATM 12 C10 UNL 1 -2.191 6.278 11.037 1.00 0.00 C HETATM 13 C11 UNL 1 -3.920 7.538 9.937 1.00 0.00 C HETATM 14 N2 UNL 1 -2.393 6.458 6.235 1.00 0.00 N HETATM 15 C12 UNL 1 -0.997 6.190 6.000 1.00 0.00 C HETATM 16 O2 UNL 1 -0.314 5.414 6.591 1.00 0.00 O HETATM 17 C13 UNL 1 -0.558 7.084 4.803 1.00 0.00 C HETATM 18 C14 UNL 1 -0.466 8.407 5.682 1.00 0.00 C HETATM 19 C15 UNL 1 -0.676 9.628 4.885 1.00 0.00 C HETATM 20 C16 UNL 1 -2.048 9.954 4.687 1.00 0.00 C HETATM 21 N3 UNL 1 -2.077 11.049 4.010 1.00 0.00 N HETATM 22 C17 UNL 1 -0.801 11.476 3.750 1.00 0.00 C HETATM 23 N4 UNL 1 0.044 10.543 4.308 1.00 0.00 N HETATM 24 N5 UNL 1 0.744 6.731 4.491 1.00 0.00 N HETATM 25 C18 UNL 1 1.549 7.205 3.367 1.00 0.00 C HETATM 26 O3 UNL 1 1.099 8.027 2.620 1.00 0.00 O HETATM 27 C19 UNL 1 2.957 6.521 3.339 1.00 0.00 C HETATM 28 C20 UNL 1 4.031 7.218 4.011 1.00 0.00 C HETATM 29 C21 UNL 1 4.660 8.224 3.144 1.00 0.00 C HETATM 30 C22 UNL 1 4.222 9.402 2.676 1.00 0.00 C HETATM 31 N6 UNL 1 5.205 9.851 1.870 1.00 0.00 N HETATM 32 C23 UNL 1 6.210 9.008 1.864 1.00 0.00 C HETATM 33 N7 UNL 1 5.942 7.992 2.646 1.00 0.00 N HETATM 34 N8 UNL 1 3.004 6.160 1.927 1.00 0.00 N HETATM 35 C24 UNL 1 4.235 6.017 0.906 1.00 0.00 C HETATM 36 O4 UNL 1 5.320 6.305 0.787 1.00 0.00 O HETATM 37 C25 UNL 1 3.459 5.077 0.089 1.00 0.00 C HETATM 38 C26 UNL 1 4.305 3.672 0.192 1.00 0.00 C HETATM 39 C27 UNL 1 4.534 3.391 1.613 1.00 0.00 C HETATM 40 C28 UNL 1 4.931 1.932 1.858 1.00 0.00 C HETATM 41 C29 UNL 1 5.956 4.044 1.954 1.00 0.00 C HETATM 42 N9 UNL 1 2.922 5.017 -1.122 1.00 0.00 N HETATM 43 C30 UNL 1 3.131 4.002 -2.187 1.00 0.00 C HETATM 44 O5 UNL 1 4.139 3.336 -2.183 1.00 0.00 O HETATM 45 C31 UNL 1 2.030 3.995 -3.073 1.00 0.00 C HETATM 46 C32 UNL 1 0.871 4.931 -2.639 1.00 0.00 C HETATM 47 C33 UNL 1 -0.377 4.745 -3.488 1.00 0.00 C HETATM 48 C34 UNL 1 -0.890 3.479 -3.641 1.00 0.00 C HETATM 49 C35 UNL 1 -2.080 3.403 -4.367 1.00 0.00 C HETATM 50 C36 UNL 1 -2.677 4.503 -4.914 1.00 0.00 C HETATM 51 C37 UNL 1 -2.167 5.775 -4.767 1.00 0.00 C HETATM 52 C38 UNL 1 -0.997 5.865 -4.016 1.00 0.00 C HETATM 53 N10 UNL 1 1.689 3.344 -4.275 1.00 0.00 N HETATM 54 C39 UNL 1 1.359 4.246 -5.312 1.00 0.00 C HETATM 55 O6 UNL 1 1.625 5.402 -5.082 1.00 0.00 O HETATM 56 C40 UNL 1 0.681 3.921 -6.596 1.00 0.00 C HETATM 57 C41 UNL 1 0.710 2.457 -6.827 1.00 0.00 C HETATM 58 C42 UNL 1 -0.618 2.050 -7.397 1.00 0.00 C HETATM 59 C43 UNL 1 -1.105 0.827 -7.065 1.00 0.00 C HETATM 60 C44 UNL 1 -2.365 0.345 -7.341 1.00 0.00 C HETATM 61 C45 UNL 1 -3.222 1.235 -8.021 1.00 0.00 C HETATM 62 C46 UNL 1 -2.666 2.454 -8.369 1.00 0.00 C HETATM 63 C47 UNL 1 -1.400 2.921 -8.090 1.00 0.00 C HETATM 64 N11 UNL 1 1.543 4.697 -7.534 1.00 0.00 N HETATM 65 C48 UNL 1 1.583 6.116 -7.374 1.00 0.00 C HETATM 66 O7 UNL 1 0.889 6.647 -6.502 1.00 0.00 O HETATM 67 C49 UNL 1 2.532 6.970 -8.170 1.00 0.00 C HETATM 68 C50 UNL 1 2.306 7.117 -9.582 1.00 0.00 C HETATM 69 C51 UNL 1 3.254 8.044 -10.290 1.00 0.00 C HETATM 70 C52 UNL 1 4.692 7.744 -10.146 1.00 0.00 C HETATM 71 N12 UNL 1 5.498 8.648 -10.956 1.00 0.00 N HETATM 72 C53 UNL 1 6.895 8.297 -10.944 1.00 0.00 C HETATM 73 N13 UNL 1 7.507 8.114 -12.047 1.00 0.00 N HETATM 74 N14 UNL 1 7.511 8.085 -9.684 1.00 0.00 N HETATM 75 N15 UNL 1 3.434 7.736 -7.362 1.00 0.00 N HETATM 76 C54 UNL 1 3.448 7.717 -5.940 1.00 0.00 C HETATM 77 O8 UNL 1 2.609 7.428 -5.155 1.00 0.00 O HETATM 78 C55 UNL 1 4.881 7.988 -5.317 1.00 0.00 C HETATM 79 C56 UNL 1 4.571 8.351 -3.841 1.00 0.00 C HETATM 80 C57 UNL 1 3.810 9.584 -3.867 1.00 0.00 C HETATM 81 C58 UNL 1 2.713 9.827 -2.993 1.00 0.00 C HETATM 82 N16 UNL 1 2.775 10.295 -1.660 1.00 0.00 N HETATM 83 C59 UNL 1 1.387 10.318 -1.042 1.00 0.00 C HETATM 84 N17 UNL 1 0.900 11.451 -1.125 1.00 0.00 N HETATM 85 N18 UNL 1 0.919 9.108 -0.579 1.00 0.00 N HETATM 86 N19 UNL 1 5.242 6.559 -5.103 1.00 0.00 N HETATM 87 C60 UNL 1 6.001 5.853 -6.072 1.00 0.00 C HETATM 88 O9 UNL 1 6.312 6.335 -7.154 1.00 0.00 O HETATM 89 C61 UNL 1 6.299 4.428 -5.647 1.00 0.00 C HETATM 90 C62 UNL 1 7.062 4.461 -4.385 1.00 0.00 C HETATM 91 C63 UNL 1 8.431 5.085 -4.694 1.00 0.00 C HETATM 92 C64 UNL 1 9.172 5.448 -3.466 1.00 0.00 C HETATM 93 N20 UNL 1 8.290 5.918 -2.436 1.00 0.00 N HETATM 94 C65 UNL 1 8.625 5.550 -1.070 1.00 0.00 C HETATM 95 N21 UNL 1 8.578 6.430 -0.147 1.00 0.00 N HETATM 96 N22 UNL 1 8.928 4.209 -0.838 1.00 0.00 N HETATM 97 N23 UNL 1 5.539 3.487 -6.211 1.00 0.00 N HETATM 98 C66 UNL 1 5.813 2.080 -6.511 1.00 0.00 C HETATM 99 O10 UNL 1 6.826 1.592 -6.056 1.00 0.00 O HETATM 100 C67 UNL 1 4.775 1.493 -7.269 1.00 0.00 C HETATM 101 C68 UNL 1 4.400 2.315 -8.523 1.00 0.00 C HETATM 102 C69 UNL 1 5.178 2.326 -9.744 1.00 0.00 C HETATM 103 C70 UNL 1 4.234 3.143 -10.739 1.00 0.00 C HETATM 104 C71 UNL 1 6.460 3.063 -9.870 1.00 0.00 C HETATM 105 N24 UNL 1 4.059 0.331 -7.413 1.00 0.00 N HETATM 106 C72 UNL 1 4.400 -1.015 -7.200 1.00 0.00 C HETATM 107 O11 UNL 1 5.408 -1.296 -6.547 1.00 0.00 O HETATM 108 C73 UNL 1 3.555 -2.010 -7.815 1.00 0.00 C HETATM 109 C74 UNL 1 3.163 -1.552 -9.239 1.00 0.00 C HETATM 110 C75 UNL 1 2.190 -0.515 -9.349 1.00 0.00 C HETATM 111 O12 UNL 1 2.213 0.580 -9.894 1.00 0.00 O HETATM 112 O13 UNL 1 0.909 -0.781 -8.696 1.00 0.00 O HETATM 113 N25 UNL 1 2.689 -2.839 -7.177 1.00 0.00 N HETATM 114 C76 UNL 1 2.088 -3.979 -7.828 1.00 0.00 C HETATM 115 O14 UNL 1 2.320 -4.132 -9.045 1.00 0.00 O HETATM 116 C77 UNL 1 1.230 -4.831 -7.082 1.00 0.00 C HETATM 117 C78 UNL 1 0.534 -5.939 -7.772 1.00 0.00 C HETATM 118 C79 UNL 1 1.355 -7.093 -8.228 1.00 0.00 C HETATM 119 C80 UNL 1 0.254 -8.199 -8.301 1.00 0.00 C HETATM 120 N26 UNL 1 0.437 -9.395 -7.597 1.00 0.00 N HETATM 121 O15 UNL 1 -0.706 -7.951 -9.006 1.00 0.00 O HETATM 122 N27 UNL 1 0.343 -4.406 -6.071 1.00 0.00 N HETATM 123 C81 UNL 1 0.252 -5.546 -5.044 1.00 0.00 C HETATM 124 O16 UNL 1 0.865 -6.632 -5.381 1.00 0.00 O HETATM 125 C82 UNL 1 -0.429 -5.437 -3.872 1.00 0.00 C HETATM 126 N28 UNL 1 -0.322 -5.859 -2.484 1.00 0.00 N HETATM 127 C83 UNL 1 0.895 -5.840 -1.603 1.00 0.00 C HETATM 128 O17 UNL 1 2.004 -5.907 -1.614 1.00 0.00 O HETATM 129 C84 UNL 1 0.279 -5.532 -0.152 1.00 0.00 C HETATM 130 C85 UNL 1 0.263 -6.622 0.751 1.00 0.00 C HETATM 131 O18 UNL 1 -0.957 -6.765 1.456 1.00 0.00 O HETATM 132 N29 UNL 1 0.984 -4.355 0.284 1.00 0.00 N HETATM 133 C86 UNL 1 0.590 -3.438 1.239 1.00 0.00 C HETATM 134 O19 UNL 1 -0.580 -3.625 1.747 1.00 0.00 O HETATM 135 C87 UNL 1 1.354 -2.280 1.578 1.00 0.00 C HETATM 136 C88 UNL 1 2.798 -2.208 1.759 1.00 0.00 C HETATM 137 C89 UNL 1 3.319 -2.970 2.958 1.00 0.00 C HETATM 138 C90 UNL 1 4.722 -2.407 3.221 1.00 0.00 C HETATM 139 C91 UNL 1 5.421 -3.253 4.207 1.00 0.00 C HETATM 140 N30 UNL 1 6.726 -2.689 4.523 1.00 0.00 N HETATM 141 N31 UNL 1 0.886 -0.992 1.188 1.00 0.00 N HETATM 142 C92 UNL 1 0.703 0.223 1.867 1.00 0.00 C HETATM 143 O20 UNL 1 0.887 0.506 3.034 1.00 0.00 O HETATM 144 C93 UNL 1 0.164 1.300 0.959 1.00 0.00 C HETATM 145 N32 UNL 1 -0.445 2.432 1.473 1.00 0.00 N HETATM 146 C94 UNL 1 -1.399 3.168 0.595 1.00 0.00 C HETATM 147 O21 UNL 1 -1.497 2.711 -0.552 1.00 0.00 O HETATM 148 C95 UNL 1 -2.069 4.285 1.159 1.00 0.00 C HETATM 149 C96 UNL 1 -2.348 5.477 0.274 1.00 0.00 C HETATM 150 C97 UNL 1 -3.195 5.180 -0.937 1.00 0.00 C HETATM 151 C98 UNL 1 -3.542 6.500 -1.609 1.00 0.00 C HETATM 152 C99 UNL 1 -4.505 7.294 -0.745 1.00 0.00 C HETATM 153 N33 UNL 1 -4.680 8.615 -1.331 1.00 0.00 N HETATM 154 N34 UNL 1 -3.448 3.765 1.468 1.00 0.00 N HETATM 155 CA0 UNL 1 -4.325 4.529 2.200 1.00 0.00 C HETATM 156 O22 UNL 1 -4.270 5.715 2.553 1.00 0.00 O HETATM 157 CA1 UNL 1 -5.652 3.761 2.726 1.00 0.00 C HETATM 158 CA2 UNL 1 -4.922 2.557 3.296 1.00 0.00 C HETATM 159 CA3 UNL 1 -3.643 2.867 3.956 1.00 0.00 C HETATM 160 O23 UNL 1 -3.222 3.988 4.235 1.00 0.00 O HETATM 161 O24 UNL 1 -2.845 1.739 4.261 1.00 0.00 O HETATM 162 N35 UNL 1 -6.129 3.275 1.450 1.00 0.00 N HETATM 163 CA4 UNL 1 -6.617 3.810 0.340 1.00 0.00 C HETATM 164 O25 UNL 1 -6.827 5.157 0.360 1.00 0.00 O HETATM 165 CA5 UNL 1 -6.853 3.279 -0.984 1.00 0.00 C HETATM 166 CA6 UNL 1 -8.338 3.231 -1.267 1.00 0.00 C HETATM 167 CA7 UNL 1 -8.575 3.336 -2.733 1.00 0.00 C HETATM 168 CA8 UNL 1 -7.705 4.005 -3.605 1.00 0.00 C HETATM 169 N36 UNL 1 -8.401 4.021 -4.789 1.00 0.00 N HETATM 170 CA9 UNL 1 -9.547 3.340 -4.664 1.00 0.00 C HETATM 171 N37 UNL 1 -9.623 2.964 -3.379 1.00 0.00 N HETATM 172 N38 UNL 1 -6.496 1.813 -0.992 1.00 0.00 N HETATM 173 CB0 UNL 1 -5.655 1.252 -1.913 1.00 0.00 C HETATM 174 O26 UNL 1 -4.972 1.903 -2.745 1.00 0.00 O HETATM 175 CB1 UNL 1 -5.550 -0.289 -2.042 1.00 0.00 C HETATM 176 CB2 UNL 1 -6.785 -0.660 -2.745 1.00 0.00 C HETATM 177 CB3 UNL 1 -7.954 -1.101 -1.900 1.00 0.00 C HETATM 178 CB4 UNL 1 -7.747 -2.551 -1.475 1.00 0.00 C HETATM 179 CB5 UNL 1 -9.288 -0.718 -2.304 1.00 0.00 C HETATM 180 N39 UNL 1 -4.353 -0.799 -2.084 1.00 0.00 N HETATM 181 CB6 UNL 1 -3.021 -0.543 -2.386 1.00 0.00 C HETATM 182 O27 UNL 1 -2.647 0.469 -2.992 1.00 0.00 O HETATM 183 CB7 UNL 1 -2.145 -1.585 -1.819 1.00 0.00 C HETATM 184 CB8 UNL 1 -2.707 -2.305 -0.606 1.00 0.00 C HETATM 185 CB9 UNL 1 -2.861 -1.724 0.713 1.00 0.00 C HETATM 186 CC0 UNL 1 -3.458 -2.904 1.571 1.00 0.00 C HETATM 187 CC1 UNL 1 -3.673 -0.564 1.058 1.00 0.00 C HETATM 188 N40 UNL 1 -0.860 -1.796 -2.075 1.00 0.00 N HETATM 189 CC2 UNL 1 0.124 -1.047 -2.926 1.00 0.00 C HETATM 190 O28 UNL 1 -0.104 -0.168 -3.677 1.00 0.00 O HETATM 191 CC3 UNL 1 1.370 -1.673 -2.485 1.00 0.00 C HETATM 192 CC4 UNL 1 2.272 -0.175 -2.349 1.00 0.00 C HETATM 193 CC5 UNL 1 3.388 -0.475 -1.486 1.00 0.00 C HETATM 194 CC6 UNL 1 4.677 0.208 -1.727 1.00 0.00 C HETATM 195 N41 UNL 1 5.087 0.608 -3.041 1.00 0.00 N HETATM 196 O29 UNL 1 5.459 0.453 -0.802 1.00 0.00 O HETATM 197 N42 UNL 1 2.418 -2.259 -2.950 1.00 0.00 N HETATM 198 CC7 UNL 1 3.207 -3.333 -2.955 1.00 0.00 C HETATM 199 O30 UNL 1 3.138 -4.398 -2.634 1.00 0.00 O HETATM 200 CC8 UNL 1 4.678 -3.014 -3.485 1.00 0.00 C HETATM 201 CC9 UNL 1 5.131 -3.756 -4.595 1.00 0.00 C HETATM 202 CD0 UNL 1 5.210 -5.209 -4.434 1.00 0.00 C HETATM 203 CD1 UNL 1 5.088 -6.079 -3.402 1.00 0.00 C HETATM 204 N43 UNL 1 5.144 -7.391 -3.920 1.00 0.00 N HETATM 205 CD2 UNL 1 5.295 -7.264 -5.232 1.00 0.00 C HETATM 206 N44 UNL 1 5.332 -5.990 -5.543 1.00 0.00 N HETATM 207 N45 UNL 1 5.253 -3.459 -2.164 1.00 0.00 N HETATM 208 CD3 UNL 1 6.503 -3.795 -1.862 1.00 0.00 C HETATM 209 O31 UNL 1 7.368 -3.743 -2.796 1.00 0.00 O HETATM 210 CD4 UNL 1 6.773 -4.166 -0.513 1.00 0.00 C HETATM 211 CD5 UNL 1 8.380 -4.083 -0.374 1.00 0.00 C HETATM 212 CD6 UNL 1 8.994 -2.798 -0.530 1.00 0.00 C HETATM 213 CD7 UNL 1 10.486 -2.971 -0.408 1.00 0.00 C HETATM 214 O32 UNL 1 11.029 -4.059 -0.570 1.00 0.00 O HETATM 215 O33 UNL 1 11.260 -1.848 -0.080 1.00 0.00 O HETATM 216 N46 UNL 1 6.699 -5.537 -0.060 1.00 0.00 N HETATM 217 CD8 UNL 1 5.697 -6.000 0.830 1.00 0.00 C HETATM 218 O34 UNL 1 4.758 -5.229 1.158 1.00 0.00 O HETATM 219 CD9 UNL 1 5.809 -7.350 1.475 1.00 0.00 C HETATM 220 CE0 UNL 1 7.408 -7.305 1.854 1.00 0.00 C HETATM 221 O35 UNL 1 8.107 -7.559 0.715 1.00 0.00 O HETATM 222 N47 UNL 1 5.265 -7.137 2.795 1.00 0.00 N HETATM 223 CE1 UNL 1 5.521 -8.006 3.952 1.00 0.00 C HETATM 224 O36 UNL 1 6.263 -9.014 3.755 1.00 0.00 O HETATM 225 CE2 UNL 1 4.904 -7.611 5.189 1.00 0.00 C HETATM 226 N48 UNL 1 5.281 -7.328 6.433 1.00 0.00 N HETATM 227 CE3 UNL 1 5.838 -7.477 7.620 1.00 0.00 C HETATM 228 O37 UNL 1 6.492 -7.922 8.478 1.00 0.00 O HETATM 229 CE4 UNL 1 4.886 -6.348 8.513 1.00 0.00 C HETATM 230 CE5 UNL 1 5.650 -5.386 9.185 1.00 0.00 C HETATM 231 N49 UNL 1 4.203 -7.311 9.369 1.00 0.00 N HETATM 232 CE6 UNL 1 4.126 -8.969 5.729 1.00 0.00 C HETATM 233 CE7 UNL 1 3.167 -9.500 4.842 1.00 0.00 C HETATM 234 CE8 UNL 1 5.070 -9.799 6.453 1.00 0.00 C HETATM 235 CE9 UNL 1 -2.019 -5.403 -3.829 1.00 0.00 C HETATM 236 CF0 UNL 1 -2.680 -4.153 -4.178 1.00 0.00 C HETATM 237 CF1 UNL 1 -2.460 -6.380 -4.984 1.00 0.00 C HETATM 238 CF2 UNL 1 -3.958 -6.418 -4.966 1.00 0.00 C HETATM 239 CF3 UNL 1 -5.251 1.875 7.096 1.00 0.00 C HETATM 240 O38 UNL 1 -4.055 1.583 6.794 1.00 0.00 O HETATM 241 N50 UNL 1 -6.271 0.879 6.970 1.00 0.00 N HETATM 242 CF4 UNL 1 -6.093 -0.327 6.474 1.00 0.00 C HETATM 243 CF5 UNL 1 -6.212 -0.194 4.889 1.00 0.00 C HETATM 244 CF6 UNL 1 -6.426 -1.686 6.759 1.00 0.00 C HETATM 245 O39 UNL 1 -6.130 -2.308 7.750 1.00 0.00 O HETATM 246 N51 UNL 1 -7.208 -2.198 5.600 1.00 0.00 N HETATM 247 CF7 UNL 1 -7.313 -3.577 5.471 1.00 0.00 C HETATM 248 CF8 UNL 1 -5.711 -3.852 5.216 1.00 0.00 C HETATM 249 CF9 UNL 1 -5.448 -5.263 5.356 1.00 0.00 C HETATM 250 CG0 UNL 1 -4.291 -5.833 4.682 1.00 0.00 C HETATM 251 O40 UNL 1 -4.543 -6.768 3.836 1.00 0.00 O HETATM 252 O41 UNL 1 -2.980 -5.474 4.831 1.00 0.00 O HETATM 253 CG1 UNL 1 -7.937 -3.772 4.082 1.00 0.00 C HETATM 254 O42 UNL 1 -8.993 -3.091 3.811 1.00 0.00 O HETATM 255 N52 UNL 1 -7.418 -4.641 3.161 1.00 0.00 N HETATM 256 CG2 UNL 1 -8.035 -5.004 1.902 1.00 0.00 C HETATM 257 CG3 UNL 1 -9.311 -5.848 2.379 1.00 0.00 C HETATM 258 O43 UNL 1 -10.037 -6.256 1.467 1.00 0.00 O HETATM 259 N53 UNL 1 -9.365 -6.126 3.674 1.00 0.00 N HETATM 260 CG4 UNL 1 -10.084 -6.994 4.565 1.00 0.00 C HETATM 261 CG5 UNL 1 -9.893 -8.257 3.507 1.00 0.00 C HETATM 262 CG6 UNL 1 -9.814 -9.563 4.099 1.00 0.00 C HETATM 263 CG7 UNL 1 -9.175 -10.597 3.431 1.00 0.00 C HETATM 264 N54 UNL 1 -9.036 -11.568 4.175 1.00 0.00 N HETATM 265 CG8 UNL 1 -9.614 -11.345 5.373 1.00 0.00 C HETATM 266 N55 UNL 1 -10.055 -10.036 5.274 1.00 0.00 N HETATM 267 CG9 UNL 1 -9.112 -7.341 5.609 1.00 0.00 C HETATM 268 O44 UNL 1 -8.164 -8.133 5.442 1.00 0.00 O HETATM 269 N56 UNL 1 -9.278 -6.763 6.956 1.00 0.00 N HETATM 270 CH0 UNL 1 -8.395 -7.234 7.963 1.00 0.00 C HETATM 271 CH1 UNL 1 -7.059 -6.769 8.201 1.00 0.00 C HETATM 272 O45 UNL 1 -6.780 -5.594 8.515 1.00 0.00 O HETATM 273 N57 UNL 1 -5.967 -7.716 8.176 1.00 0.00 N HETATM 274 CH2 UNL 1 -4.616 -7.530 8.494 1.00 0.00 C HETATM 275 CH3 UNL 1 -3.586 -7.670 7.439 1.00 0.00 C HETATM 276 CH4 UNL 1 -4.377 -6.457 9.500 1.00 0.00 C HETATM 277 O46 UNL 1 -5.264 -6.237 10.334 1.00 0.00 O HETATM 278 O47 UNL 1 -3.207 -5.732 9.474 1.00 0.00 O HETATM 279 CH5 UNL 1 -8.697 -8.697 8.279 1.00 0.00 C HETATM 280 CH6 UNL 1 -10.117 -8.744 8.851 1.00 0.00 C HETATM 281 O48 UNL 1 -7.848 -9.136 9.280 1.00 0.00 O HETATM 282 CH7 UNL 1 -7.172 -6.080 1.237 1.00 0.00 C HETATM 283 CH8 UNL 1 -5.854 -5.566 0.850 1.00 0.00 C HETATM 284 CH9 UNL 1 -7.883 -6.744 0.116 1.00 0.00 C HETATM 285 CI0 UNL 1 -7.064 -7.803 -0.612 1.00 0.00 C HETATM 286 H1 UNL 1 -5.254 1.434 11.256 1.00 0.00 H HETATM 287 H2 UNL 1 -6.615 1.258 10.070 1.00 0.00 H HETATM 288 H3 UNL 1 -4.969 0.833 9.575 1.00 0.00 H HETATM 289 H4 UNL 1 -4.392 3.079 9.322 1.00 0.00 H HETATM 290 H5 UNL 1 -5.379 3.674 10.646 1.00 0.00 H HETATM 291 H6 UNL 1 -7.342 2.767 8.866 1.00 0.00 H HETATM 292 H7 UNL 1 -7.101 5.052 9.819 1.00 0.00 H HETATM 293 H8 UNL 1 -7.445 4.997 8.016 1.00 0.00 H HETATM 294 H9 UNL 1 -5.779 5.279 8.650 1.00 0.00 H HETATM 295 H10 UNL 1 -6.639 3.285 6.667 1.00 0.00 H HETATM 296 H11 UNL 1 -5.424 5.142 6.760 1.00 0.00 H HETATM 297 H12 UNL 1 -4.133 6.671 7.380 1.00 0.00 H HETATM 298 H13 UNL 1 -1.828 7.206 8.419 1.00 0.00 H HETATM 299 H14 UNL 1 -1.637 5.412 8.503 1.00 0.00 H HETATM 300 H15 UNL 1 -3.805 5.404 9.938 1.00 0.00 H HETATM 301 H16 UNL 1 -1.504 5.401 11.013 1.00 0.00 H HETATM 302 H17 UNL 1 -2.840 6.146 11.909 1.00 0.00 H HETATM 303 H18 UNL 1 -1.648 7.201 11.093 1.00 0.00 H HETATM 304 H19 UNL 1 -4.755 7.489 9.274 1.00 0.00 H HETATM 305 H20 UNL 1 -3.221 8.360 9.631 1.00 0.00 H HETATM 306 H21 UNL 1 -4.205 7.609 10.979 1.00 0.00 H HETATM 307 H22 UNL 1 -2.850 7.080 5.454 1.00 0.00 H HETATM 308 H23 UNL 1 -1.275 7.240 4.052 1.00 0.00 H HETATM 309 H24 UNL 1 -0.870 8.303 6.632 1.00 0.00 H HETATM 310 H25 UNL 1 0.706 8.451 5.885 1.00 0.00 H HETATM 311 H26 UNL 1 -2.883 9.325 5.045 1.00 0.00 H HETATM 312 H27 UNL 1 -0.540 12.373 3.237 1.00 0.00 H HETATM 313 H28 UNL 1 1.066 10.618 4.236 1.00 0.00 H HETATM 314 H29 UNL 1 1.208 5.979 5.047 1.00 0.00 H HETATM 315 H30 UNL 1 2.766 5.596 3.960 1.00 0.00 H HETATM 316 H31 UNL 1 3.520 7.721 4.932 1.00 0.00 H HETATM 317 H32 UNL 1 4.754 6.453 4.420 1.00 0.00 H HETATM 318 H33 UNL 1 3.247 9.835 2.865 1.00 0.00 H HETATM 319 H34 UNL 1 7.143 9.187 1.280 1.00 0.00 H HETATM 320 H35 UNL 1 6.432 7.122 2.848 1.00 0.00 H HETATM 321 H36 UNL 1 2.287 6.445 1.328 1.00 0.00 H HETATM 322 H37 UNL 1 2.611 4.615 0.867 1.00 0.00 H HETATM 323 H38 UNL 1 5.165 3.944 -0.370 1.00 0.00 H HETATM 324 H39 UNL 1 3.521 3.025 -0.244 1.00 0.00 H HETATM 325 H40 UNL 1 3.856 3.735 2.312 1.00 0.00 H HETATM 326 H41 UNL 1 5.943 1.687 1.577 1.00 0.00 H HETATM 327 H42 UNL 1 4.125 1.302 1.377 1.00 0.00 H HETATM 328 H43 UNL 1 4.774 1.770 2.955 1.00 0.00 H HETATM 329 H44 UNL 1 5.793 4.887 2.573 1.00 0.00 H HETATM 330 H45 UNL 1 6.497 3.283 2.611 1.00 0.00 H HETATM 331 H46 UNL 1 6.511 4.132 1.018 1.00 0.00 H HETATM 332 H47 UNL 1 2.256 5.792 -1.515 1.00 0.00 H HETATM 333 H48 UNL 1 1.465 3.004 -2.325 1.00 0.00 H HETATM 334 H49 UNL 1 0.732 4.802 -1.586 1.00 0.00 H HETATM 335 H50 UNL 1 1.136 6.030 -2.782 1.00 0.00 H HETATM 336 H51 UNL 1 -0.455 2.596 -3.199 1.00 0.00 H HETATM 337 H52 UNL 1 -2.548 2.463 -4.547 1.00 0.00 H HETATM 338 H53 UNL 1 -3.593 4.411 -5.523 1.00 0.00 H HETATM 339 H54 UNL 1 -2.669 6.617 -5.212 1.00 0.00 H HETATM 340 H55 UNL 1 -0.587 6.832 -3.828 1.00 0.00 H HETATM 341 H56 UNL 1 1.712 2.345 -4.372 1.00 0.00 H HETATM 342 H57 UNL 1 -0.290 4.408 -6.532 1.00 0.00 H HETATM 343 H58 UNL 1 1.491 2.172 -7.570 1.00 0.00 H HETATM 344 H59 UNL 1 0.849 1.884 -5.879 1.00 0.00 H HETATM 345 H60 UNL 1 -0.476 0.081 -6.517 1.00 0.00 H HETATM 346 H61 UNL 1 -2.727 -0.620 -7.010 1.00 0.00 H HETATM 347 H62 UNL 1 -4.195 0.910 -8.286 1.00 0.00 H HETATM 348 H63 UNL 1 -3.409 3.150 -8.848 1.00 0.00 H HETATM 349 H64 UNL 1 -1.061 3.916 -8.320 1.00 0.00 H HETATM 350 H65 UNL 1 2.049 4.146 -8.236 1.00 0.00 H HETATM 351 H66 UNL 1 3.372 5.960 -8.311 1.00 0.00 H HETATM 352 H67 UNL 1 2.464 6.104 -10.159 1.00 0.00 H HETATM 353 H68 UNL 1 1.269 7.430 -9.876 1.00 0.00 H HETATM 354 H69 UNL 1 2.972 9.114 -10.060 1.00 0.00 H HETATM 355 H70 UNL 1 3.026 7.934 -11.396 1.00 0.00 H HETATM 356 H71 UNL 1 5.117 8.024 -9.118 1.00 0.00 H HETATM 357 H72 UNL 1 4.966 6.711 -10.252 1.00 0.00 H HETATM 358 H73 UNL 1 5.152 9.445 -11.441 1.00 0.00 H HETATM 359 H74 UNL 1 8.505 7.697 -11.901 1.00 0.00 H HETATM 360 H75 UNL 1 7.328 8.834 -8.990 1.00 0.00 H HETATM 361 H76 UNL 1 8.117 7.309 -9.390 1.00 0.00 H HETATM 362 H77 UNL 1 4.144 8.397 -7.722 1.00 0.00 H HETATM 363 H78 UNL 1 5.447 8.521 -5.867 1.00 0.00 H HETATM 364 H79 UNL 1 3.810 7.499 -3.592 1.00 0.00 H HETATM 365 H80 UNL 1 5.413 8.109 -3.219 1.00 0.00 H HETATM 366 H81 UNL 1 4.695 10.277 -3.278 1.00 0.00 H HETATM 367 H82 UNL 1 3.907 10.153 -4.825 1.00 0.00 H HETATM 368 H83 UNL 1 2.284 8.697 -2.720 1.00 0.00 H HETATM 369 H84 UNL 1 1.813 10.268 -3.510 1.00 0.00 H HETATM 370 H85 UNL 1 3.598 10.609 -1.184 1.00 0.00 H HETATM 371 H86 UNL 1 0.035 11.942 -0.848 1.00 0.00 H HETATM 372 H87 UNL 1 0.196 9.106 0.202 1.00 0.00 H HETATM 373 H88 UNL 1 1.186 8.127 -0.902 1.00 0.00 H HETATM 374 H89 UNL 1 4.812 6.097 -4.279 1.00 0.00 H HETATM 375 H90 UNL 1 7.354 4.325 -6.400 1.00 0.00 H HETATM 376 H91 UNL 1 6.608 5.232 -3.666 1.00 0.00 H HETATM 377 H92 UNL 1 7.150 3.547 -3.802 1.00 0.00 H HETATM 378 H93 UNL 1 8.995 4.000 -4.972 1.00 0.00 H HETATM 379 H94 UNL 1 8.579 5.543 -5.596 1.00 0.00 H HETATM 380 H95 UNL 1 9.554 6.621 -3.818 1.00 0.00 H HETATM 381 H96 UNL 1 10.135 5.079 -3.357 1.00 0.00 H HETATM 382 H97 UNL 1 7.488 6.512 -2.589 1.00 0.00 H HETATM 383 H98 UNL 1 8.843 5.949 0.824 1.00 0.00 H HETATM 384 H99 UNL 1 9.931 3.952 -0.642 1.00 0.00 H HETATM 385 HA0 UNL 1 8.268 3.427 -0.788 1.00 0.00 H HETATM 386 HA1 UNL 1 4.511 3.743 -6.540 1.00 0.00 H HETATM 387 HA2 UNL 1 5.778 0.875 -8.005 1.00 0.00 H HETATM 388 HA3 UNL 1 4.792 3.429 -8.107 1.00 0.00 H HETATM 389 HA4 UNL 1 3.371 2.572 -8.580 1.00 0.00 H HETATM 390 HA5 UNL 1 5.305 1.320 -10.250 1.00 0.00 H HETATM 391 HA6 UNL 1 3.200 3.042 -10.299 1.00 0.00 H HETATM 392 HA7 UNL 1 4.297 2.678 -11.732 1.00 0.00 H HETATM 393 HA8 UNL 1 4.511 4.169 -10.651 1.00 0.00 H HETATM 394 HA9 UNL 1 7.345 2.594 -9.458 1.00 0.00 H HETATM 395 HB0 UNL 1 6.612 3.177 -11.023 1.00 0.00 H HETATM 396 HB1 UNL 1 6.402 4.121 -9.565 1.00 0.00 H HETATM 397 HB2 UNL 1 2.992 0.439 -7.594 1.00 0.00 H HETATM 398 HB3 UNL 1 4.370 -2.860 -8.225 1.00 0.00 H HETATM 399 HB4 UNL 1 4.194 -0.931 -9.493 1.00 0.00 H HETATM 400 HB5 UNL 1 3.301 -2.322 -9.996 1.00 0.00 H HETATM 401 HB6 UNL 1 0.191 -1.178 -9.289 1.00 0.00 H HETATM 402 HB7 UNL 1 2.326 -2.672 -6.195 1.00 0.00 H HETATM 403 HB8 UNL 1 2.016 -5.489 -6.404 1.00 0.00 H HETATM 404 HB9 UNL 1 0.229 -5.401 -8.836 1.00 0.00 H HETATM 405 HC0 UNL 1 -0.454 -6.219 -7.469 1.00 0.00 H HETATM 406 HC1 UNL 1 2.197 -7.368 -7.643 1.00 0.00 H HETATM 407 HC2 UNL 1 1.624 -6.982 -9.301 1.00 0.00 H HETATM 408 HC3 UNL 1 0.507 -9.431 -6.516 1.00 0.00 H HETATM 409 HC4 UNL 1 0.438 -10.299 -8.057 1.00 0.00 H HETATM 410 HC5 UNL 1 -0.178 -3.609 -5.876 1.00 0.00 H HETATM 411 HC6 UNL 1 -0.335 -4.159 -3.843 1.00 0.00 H HETATM 412 HC7 UNL 1 -0.935 -6.510 -2.113 1.00 0.00 H HETATM 413 HC8 UNL 1 -0.836 -5.217 -0.301 1.00 0.00 H HETATM 414 HC9 UNL 1 0.950 -6.317 1.672 1.00 0.00 H HETATM 415 HD0 UNL 1 0.649 -7.570 0.502 1.00 0.00 H HETATM 416 HD1 UNL 1 -0.903 -6.755 2.402 1.00 0.00 H HETATM 417 HD2 UNL 1 1.936 -4.237 -0.220 1.00 0.00 H HETATM 418 HD3 UNL 1 1.060 -2.167 2.802 1.00 0.00 H HETATM 419 HD4 UNL 1 3.337 -2.732 0.853 1.00 0.00 H HETATM 420 HD5 UNL 1 3.229 -1.212 1.714 1.00 0.00 H HETATM 421 HD6 UNL 1 2.686 -2.621 3.827 1.00 0.00 H HETATM 422 HD7 UNL 1 3.312 -4.054 2.871 1.00 0.00 H HETATM 423 HD8 UNL 1 4.524 -1.408 3.778 1.00 0.00 H HETATM 424 HD9 UNL 1 5.294 -2.136 2.372 1.00 0.00 H HETATM 425 HE0 UNL 1 5.685 -4.247 3.718 1.00 0.00 H HETATM 426 HE1 UNL 1 4.895 -3.491 5.127 1.00 0.00 H HETATM 427 HE2 UNL 1 7.026 -2.949 5.485 1.00 0.00 H HETATM 428 HE3 UNL 1 7.473 -3.027 3.873 1.00 0.00 H HETATM 429 HE4 UNL 1 0.562 -0.934 0.164 1.00 0.00 H HETATM 430 HE5 UNL 1 0.218 1.117 -0.084 1.00 0.00 H HETATM 431 HE6 UNL 1 1.351 1.903 0.941 1.00 0.00 H HETATM 432 HE7 UNL 1 -0.298 2.757 2.436 1.00 0.00 H HETATM 433 HE8 UNL 1 -1.627 4.700 2.067 1.00 0.00 H HETATM 434 HE9 UNL 1 -1.329 5.877 -0.092 1.00 0.00 H HETATM 435 HF0 UNL 1 -2.767 6.284 0.850 1.00 0.00 H HETATM 436 HF1 UNL 1 -4.135 4.749 -0.564 1.00 0.00 H HETATM 437 HF2 UNL 1 -2.769 4.471 -1.636 1.00 0.00 H HETATM 438 HF3 UNL 1 -4.071 6.250 -2.546 1.00 0.00 H HETATM 439 HF4 UNL 1 -2.678 7.131 -1.818 1.00 0.00 H HETATM 440 HF5 UNL 1 -5.542 6.828 -0.868 1.00 0.00 H HETATM 441 HF6 UNL 1 -4.271 7.370 0.295 1.00 0.00 H HETATM 442 HF7 UNL 1 -4.776 8.621 -2.348 1.00 0.00 H HETATM 443 HF8 UNL 1 -3.747 9.098 -1.118 1.00 0.00 H HETATM 444 HF9 UNL 1 -3.687 2.850 1.068 1.00 0.00 H HETATM 445 HG0 UNL 1 -6.171 4.442 3.256 1.00 0.00 H HETATM 446 HG1 UNL 1 -4.898 1.713 2.678 1.00 0.00 H HETATM 447 HG2 UNL 1 -5.589 2.370 4.248 1.00 0.00 H HETATM 448 HG3 UNL 1 -2.032 1.747 4.822 1.00 0.00 H HETATM 449 HG4 UNL 1 -6.220 2.158 1.473 1.00 0.00 H HETATM 450 HG5 UNL 1 -6.239 3.683 -1.803 1.00 0.00 H HETATM 451 HG6 UNL 1 -8.970 3.672 -0.579 1.00 0.00 H HETATM 452 HG7 UNL 1 -8.633 2.066 -1.081 1.00 0.00 H HETATM 453 HG8 UNL 1 -6.768 4.481 -3.439 1.00 0.00 H HETATM 454 HG9 UNL 1 -10.302 3.175 -5.441 1.00 0.00 H HETATM 455 HH0 UNL 1 -10.440 2.388 -3.002 1.00 0.00 H HETATM 456 HH1 UNL 1 -6.871 1.260 -0.179 1.00 0.00 H HETATM 457 HH2 UNL 1 -5.902 -0.476 -0.840 1.00 0.00 H HETATM 458 HH3 UNL 1 -6.680 -1.342 -3.574 1.00 0.00 H HETATM 459 HH4 UNL 1 -7.230 0.328 -3.222 1.00 0.00 H HETATM 460 HH5 UNL 1 -7.730 -0.577 -0.875 1.00 0.00 H HETATM 461 HH6 UNL 1 -6.719 -2.773 -1.257 1.00 0.00 H HETATM 462 HH7 UNL 1 -8.048 -3.114 -2.452 1.00 0.00 H HETATM 463 HH8 UNL 1 -8.491 -2.833 -0.752 1.00 0.00 H HETATM 464 HH9 UNL 1 -9.868 -0.317 -1.404 1.00 0.00 H HETATM 465 HI0 UNL 1 -9.249 0.164 -3.013 1.00 0.00 H HETATM 466 HI1 UNL 1 -9.823 -1.577 -2.751 1.00 0.00 H HETATM 467 HI2 UNL 1 -4.416 -1.979 -2.130 1.00 0.00 H HETATM 468 HI3 UNL 1 -1.718 -0.499 -0.965 1.00 0.00 H HETATM 469 HI4 UNL 1 -3.855 -2.527 -0.864 1.00 0.00 H HETATM 470 HI5 UNL 1 -2.359 -3.343 -0.580 1.00 0.00 H HETATM 471 HI6 UNL 1 -1.866 -1.571 1.270 1.00 0.00 H HETATM 472 HI7 UNL 1 -3.031 -2.818 2.607 1.00 0.00 H HETATM 473 HI8 UNL 1 -3.133 -3.871 1.094 1.00 0.00 H HETATM 474 HI9 UNL 1 -4.513 -2.794 1.543 1.00 0.00 H HETATM 475 HJ0 UNL 1 -4.712 -0.909 1.330 1.00 0.00 H HETATM 476 HJ1 UNL 1 -3.684 0.277 0.386 1.00 0.00 H HETATM 477 HJ2 UNL 1 -3.287 -0.169 2.084 1.00 0.00 H HETATM 478 HJ3 UNL 1 -0.354 -2.653 -1.609 1.00 0.00 H HETATM 479 HJ4 UNL 1 1.359 -1.820 -1.341 1.00 0.00 H HETATM 480 HJ5 UNL 1 2.738 -0.290 -3.478 1.00 0.00 H HETATM 481 HJ6 UNL 1 1.650 0.551 -2.359 1.00 0.00 H HETATM 482 HJ7 UNL 1 3.421 -1.310 -0.871 1.00 0.00 H HETATM 483 HJ8 UNL 1 3.030 0.337 -0.524 1.00 0.00 H HETATM 484 HJ9 UNL 1 4.566 1.233 -3.676 1.00 0.00 H HETATM 485 HK0 UNL 1 5.980 0.193 -3.384 1.00 0.00 H HETATM 486 HK1 UNL 1 2.528 -1.743 -4.082 1.00 0.00 H HETATM 487 HK2 UNL 1 4.780 -1.963 -3.551 1.00 0.00 H HETATM 488 HK3 UNL 1 6.214 -3.372 -4.865 1.00 0.00 H HETATM 489 HK4 UNL 1 4.633 -3.549 -5.546 1.00 0.00 H HETATM 490 HK5 UNL 1 5.019 -5.953 -2.374 1.00 0.00 H HETATM 491 HK6 UNL 1 5.368 -8.104 -5.937 1.00 0.00 H HETATM 492 HK7 UNL 1 5.475 -5.588 -6.516 1.00 0.00 H HETATM 493 HK8 UNL 1 4.407 -3.575 -1.461 1.00 0.00 H HETATM 494 HK9 UNL 1 6.350 -3.486 0.225 1.00 0.00 H HETATM 495 HL0 UNL 1 8.563 -4.530 0.617 1.00 0.00 H HETATM 496 HL1 UNL 1 8.711 -4.824 -1.139 1.00 0.00 H HETATM 497 HL2 UNL 1 8.825 -2.399 -1.563 1.00 0.00 H HETATM 498 HL3 UNL 1 8.661 -2.035 0.207 1.00 0.00 H HETATM 499 HL4 UNL 1 11.046 -0.928 -0.440 1.00 0.00 H HETATM 500 HL5 UNL 1 7.323 -6.253 -0.446 1.00 0.00 H HETATM 501 HL6 UNL 1 5.733 -8.257 1.028 1.00 0.00 H HETATM 502 HL7 UNL 1 7.489 -6.280 2.248 1.00 0.00 H HETATM 503 HL8 UNL 1 7.527 -8.073 2.562 1.00 0.00 H HETATM 504 HL9 UNL 1 8.279 -8.555 0.577 1.00 0.00 H HETATM 505 HM0 UNL 1 4.691 -6.263 2.983 1.00 0.00 H HETATM 506 HM1 UNL 1 3.914 -7.107 4.906 1.00 0.00 H HETATM 507 HM2 UNL 1 5.466 -6.062 6.316 1.00 0.00 H HETATM 508 HM3 UNL 1 4.165 -6.059 7.741 1.00 0.00 H HETATM 509 HM4 UNL 1 6.593 -5.616 9.657 1.00 0.00 H HETATM 510 HM5 UNL 1 5.675 -4.333 8.733 1.00 0.00 H HETATM 511 HM6 UNL 1 4.962 -5.130 10.136 1.00 0.00 H HETATM 512 HM7 UNL 1 3.291 -6.916 9.601 1.00 0.00 H HETATM 513 HM8 UNL 1 4.837 -7.463 10.157 1.00 0.00 H HETATM 514 HM9 UNL 1 3.526 -8.384 6.552 1.00 0.00 H HETATM 515 HN0 UNL 1 2.383 -10.075 5.459 1.00 0.00 H HETATM 516 HN1 UNL 1 3.590 -10.324 4.180 1.00 0.00 H HETATM 517 HN2 UNL 1 2.596 -8.774 4.255 1.00 0.00 H HETATM 518 HN3 UNL 1 4.890 -10.903 6.211 1.00 0.00 H HETATM 519 HN4 UNL 1 4.894 -9.806 7.586 1.00 0.00 H HETATM 520 HN5 UNL 1 6.157 -9.614 6.278 1.00 0.00 H HETATM 521 HN6 UNL 1 -2.426 -5.878 -2.953 1.00 0.00 H HETATM 522 HN7 UNL 1 -2.093 -3.342 -4.576 1.00 0.00 H HETATM 523 HN8 UNL 1 -3.628 -4.260 -4.713 1.00 0.00 H HETATM 524 HN9 UNL 1 -3.115 -3.784 -3.127 1.00 0.00 H HETATM 525 HO0 UNL 1 -2.121 -5.806 -5.870 1.00 0.00 H HETATM 526 HO1 UNL 1 -2.035 -7.346 -4.818 1.00 0.00 H HETATM 527 HO2 UNL 1 -4.424 -5.756 -5.750 1.00 0.00 H HETATM 528 HO3 UNL 1 -4.418 -6.237 -3.972 1.00 0.00 H HETATM 529 HO4 UNL 1 -4.341 -7.450 -5.259 1.00 0.00 H HETATM 530 HO5 UNL 1 -7.226 1.218 7.386 1.00 0.00 H HETATM 531 HO6 UNL 1 -4.814 -0.472 6.483 1.00 0.00 H HETATM 532 HO7 UNL 1 -6.526 -1.096 4.400 1.00 0.00 H HETATM 533 HO8 UNL 1 -5.154 -0.076 4.557 1.00 0.00 H HETATM 534 HO9 UNL 1 -6.894 0.606 4.666 1.00 0.00 H HETATM 535 HP0 UNL 1 -7.709 -1.506 5.022 1.00 0.00 H HETATM 536 HP1 UNL 1 -7.522 -4.295 6.154 1.00 0.00 H HETATM 537 HP2 UNL 1 -5.463 -3.319 4.303 1.00 0.00 H HETATM 538 HP3 UNL 1 -5.274 -3.232 6.051 1.00 0.00 H HETATM 539 HP4 UNL 1 -6.314 -5.871 5.540 1.00 0.00 H HETATM 540 HP5 UNL 1 -4.992 -5.308 6.521 1.00 0.00 H HETATM 541 HP6 UNL 1 -2.221 -6.155 4.939 1.00 0.00 H HETATM 542 HP7 UNL 1 -6.441 -5.036 3.293 1.00 0.00 H HETATM 543 HP8 UNL 1 -8.410 -4.286 1.280 1.00 0.00 H HETATM 544 HP9 UNL 1 -8.843 -5.411 4.341 1.00 0.00 H HETATM 545 HQ0 UNL 1 -11.086 -7.029 4.762 1.00 0.00 H HETATM 546 HQ1 UNL 1 -10.912 -8.137 2.980 1.00 0.00 H HETATM 547 HQ2 UNL 1 -9.084 -7.930 2.894 1.00 0.00 H HETATM 548 HQ3 UNL 1 -8.824 -10.547 2.336 1.00 0.00 H HETATM 549 HQ4 UNL 1 -9.673 -11.979 6.236 1.00 0.00 H HETATM 550 HQ5 UNL 1 -10.584 -9.495 6.020 1.00 0.00 H HETATM 551 HQ6 UNL 1 -9.938 -5.987 7.065 1.00 0.00 H HETATM 552 HQ7 UNL 1 -8.941 -6.763 8.971 1.00 0.00 H HETATM 553 HQ8 UNL 1 -6.232 -8.654 7.749 1.00 0.00 H HETATM 554 HQ9 UNL 1 -4.400 -8.473 9.215 1.00 0.00 H HETATM 555 HR0 UNL 1 -3.055 -6.689 7.310 1.00 0.00 H HETATM 556 HR1 UNL 1 -4.014 -7.946 6.456 1.00 0.00 H HETATM 557 HR2 UNL 1 -2.813 -8.475 7.661 1.00 0.00 H HETATM 558 HR3 UNL 1 -2.921 -5.132 8.713 1.00 0.00 H HETATM 559 HR4 UNL 1 -8.601 -9.341 7.390 1.00 0.00 H HETATM 560 HR5 UNL 1 -10.861 -9.132 8.150 1.00 0.00 H HETATM 561 HR6 UNL 1 -10.474 -7.764 9.191 1.00 0.00 H HETATM 562 HR7 UNL 1 -10.138 -9.461 9.718 1.00 0.00 H HETATM 563 HR8 UNL 1 -7.417 -9.992 8.995 1.00 0.00 H HETATM 564 HR9 UNL 1 -6.998 -6.866 2.077 1.00 0.00 H HETATM 565 HS0 UNL 1 -4.979 -5.795 1.430 1.00 0.00 H HETATM 566 HS1 UNL 1 -5.900 -4.458 0.655 1.00 0.00 H HETATM 567 HS2 UNL 1 -5.582 -5.973 -0.208 1.00 0.00 H HETATM 568 HS3 UNL 1 -8.150 -5.972 -0.621 1.00 0.00 H HETATM 569 HS4 UNL 1 -8.816 -7.302 0.444 1.00 0.00 H HETATM 570 HS5 UNL 1 -6.681 -7.377 -1.582 1.00 0.00 H HETATM 571 HS6 UNL 1 -6.233 -8.196 -0.042 1.00 0.00 H HETATM 572 HS7 UNL 1 -7.742 -8.640 -0.932 1.00 0.00 H CONECT 1 2 286 287 288 CONECT 2 3 289 290 CONECT 3 4 5 291 CONECT 4 292 293 294 CONECT 5 6 239 295 CONECT 6 7 296 CONECT 7 8 8 9 CONECT 9 10 14 297 CONECT 10 11 298 299 CONECT 11 12 13 300 CONECT 12 301 302 303 CONECT 13 304 305 306 CONECT 14 15 307 CONECT 15 16 16 17 CONECT 17 18 24 308 CONECT 18 19 309 310 CONECT 19 20 20 23 CONECT 20 21 311 CONECT 21 22 22 CONECT 22 23 312 CONECT 23 313 CONECT 24 25 314 CONECT 25 26 26 27 CONECT 27 28 34 315 CONECT 28 29 316 317 CONECT 29 30 30 33 CONECT 30 31 318 CONECT 31 32 32 CONECT 32 33 319 CONECT 33 320 CONECT 34 35 321 CONECT 35 36 36 37 CONECT 37 38 42 322 CONECT 38 39 323 324 CONECT 39 40 41 325 CONECT 40 326 327 328 CONECT 41 329 330 331 CONECT 42 43 332 CONECT 43 44 44 45 CONECT 45 46 53 333 CONECT 46 47 334 335 CONECT 47 48 48 52 CONECT 48 49 336 CONECT 49 50 50 337 CONECT 50 51 338 CONECT 51 52 52 339 CONECT 52 340 CONECT 53 54 341 CONECT 54 55 55 56 CONECT 56 57 64 342 CONECT 57 58 343 344 CONECT 58 59 59 63 CONECT 59 60 345 CONECT 60 61 61 346 CONECT 61 62 347 CONECT 62 63 63 348 CONECT 63 349 CONECT 64 65 350 CONECT 65 66 66 67 CONECT 67 68 75 351 CONECT 68 69 352 353 CONECT 69 70 354 355 CONECT 70 71 356 357 CONECT 71 72 358 CONECT 72 73 73 74 CONECT 73 359 CONECT 74 360 361 CONECT 75 76 362 CONECT 76 77 77 78 CONECT 78 79 86 363 CONECT 79 80 364 365 CONECT 80 81 366 367 CONECT 81 82 368 369 CONECT 82 83 370 CONECT 83 84 84 85 CONECT 84 371 CONECT 85 372 373 CONECT 86 87 374 CONECT 87 88 88 89 CONECT 89 90 97 375 CONECT 90 91 376 377 CONECT 91 92 378 379 CONECT 92 93 380 381 CONECT 93 94 382 CONECT 94 95 95 96 CONECT 95 383 CONECT 96 384 385 CONECT 97 98 386 CONECT 98 99 99 100 CONECT 100 101 105 387 CONECT 101 102 388 389 CONECT 102 103 104 390 CONECT 103 391 392 393 CONECT 104 394 395 396 CONECT 105 106 397 CONECT 106 107 107 108 CONECT 108 109 113 398 CONECT 109 110 399 400 CONECT 110 111 111 112 CONECT 112 401 CONECT 113 114 402 CONECT 114 115 115 116 CONECT 116 117 122 403 CONECT 117 118 404 405 CONECT 118 119 406 407 CONECT 119 120 121 121 CONECT 120 408 409 CONECT 122 123 410 CONECT 123 124 124 125 CONECT 125 126 235 411 CONECT 126 127 412 CONECT 127 128 128 129 CONECT 129 130 132 413 CONECT 130 131 414 415 CONECT 131 416 CONECT 132 133 417 CONECT 133 134 134 135 CONECT 135 136 141 418 CONECT 136 137 419 420 CONECT 137 138 421 422 CONECT 138 139 423 424 CONECT 139 140 425 426 CONECT 140 427 428 CONECT 141 142 429 CONECT 142 143 143 144 CONECT 144 145 430 431 CONECT 145 146 432 CONECT 146 147 147 148 CONECT 148 149 154 433 CONECT 149 150 434 435 CONECT 150 151 436 437 CONECT 151 152 438 439 CONECT 152 153 440 441 CONECT 153 442 443 CONECT 154 155 444 CONECT 155 156 156 157 CONECT 157 158 162 445 CONECT 158 159 446 447 CONECT 159 160 160 161 CONECT 161 448 CONECT 162 163 449 CONECT 163 164 164 165 CONECT 165 166 172 450 CONECT 166 167 451 452 CONECT 167 168 168 171 CONECT 168 169 453 CONECT 169 170 170 CONECT 170 171 454 CONECT 171 455 CONECT 172 173 456 CONECT 173 174 174 175 CONECT 175 176 180 457 CONECT 176 177 458 459 CONECT 177 178 179 460 CONECT 178 461 462 463 CONECT 179 464 465 466 CONECT 180 181 467 CONECT 181 182 182 183 CONECT 183 184 188 468 CONECT 184 185 469 470 CONECT 185 186 187 471 CONECT 186 472 473 474 CONECT 187 475 476 477 CONECT 188 189 478 CONECT 189 190 190 191 CONECT 191 192 197 479 CONECT 192 193 480 481 CONECT 193 194 482 483 CONECT 194 195 196 196 CONECT 195 484 485 CONECT 197 198 486 CONECT 198 199 199 200 CONECT 200 201 207 487 CONECT 201 202 488 489 CONECT 202 203 203 206 CONECT 203 204 490 CONECT 204 205 205 CONECT 205 206 491 CONECT 206 492 CONECT 207 208 493 CONECT 208 209 209 210 CONECT 210 211 216 494 CONECT 211 212 495 496 CONECT 212 213 497 498 CONECT 213 214 214 215 CONECT 215 499 CONECT 216 217 500 CONECT 217 218 218 219 CONECT 219 220 222 501 CONECT 220 221 502 503 CONECT 221 504 CONECT 222 223 505 CONECT 223 224 224 225 CONECT 225 226 232 506 CONECT 226 227 507 CONECT 227 228 228 229 CONECT 229 230 231 508 CONECT 230 509 510 511 CONECT 231 512 513 CONECT 232 233 234 514 CONECT 233 515 516 517 CONECT 234 518 519 520 CONECT 235 236 237 521 CONECT 236 522 523 524 CONECT 237 238 525 526 CONECT 238 527 528 529 CONECT 239 240 240 241 CONECT 241 242 530 CONECT 242 243 244 531 CONECT 243 532 533 534 CONECT 244 245 245 246 CONECT 246 247 535 CONECT 247 248 253 536 CONECT 248 249 537 538 CONECT 249 250 539 540 CONECT 250 251 251 252 CONECT 252 541 CONECT 253 254 254 255 CONECT 255 256 542 CONECT 256 257 282 543 CONECT 257 258 258 259 CONECT 259 260 544 CONECT 260 261 267 545 CONECT 261 262 546 547 CONECT 262 263 263 266 CONECT 263 264 548 CONECT 264 265 265 CONECT 265 266 549 CONECT 266 550 CONECT 267 268 268 269 CONECT 269 270 551 CONECT 270 271 279 552 CONECT 271 272 272 273 CONECT 273 274 553 CONECT 274 275 276 554 CONECT 275 555 556 557 CONECT 276 277 277 278 CONECT 278 558 CONECT 279 280 281 559 CONECT 280 560 561 562 CONECT 281 563 CONECT 282 283 284 564 CONECT 283 565 566 567 CONECT 284 285 568 569 CONECT 285 570 571 572 END SMILES for HMDB0256917 (Human hypercalcemia factor)CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)N)C(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(C)C(O)=O INCHI for HMDB0256917 (Human hypercalcemia factor)InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199) 3D Structure for HMDB0256917 (Human hypercalcemia factor) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C180H287N57O48 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Molecular Weight | 4017.627 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Molecular Weight | 4015.176904229 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(O)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(C)N)C(C)C)C(C)CC)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=O)NC(CC1=CN=CN1)C(=O)NC(C(C)O)C(=O)NC(C)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C180H287N57O48/c1-23-94(16)141(173(280)206-98(20)146(253)209-116(51-55-137(246)247)155(262)234-143(96(18)25-3)175(282)230-128(72-107-79-196-87-205-107)169(276)237-144(100(22)240)176(283)207-99(21)177(284)285)235-168(275)121(65-92(12)13)221-163(270)125(69-104-76-193-84-202-104)227-164(271)126(70-105-77-194-85-203-105)225-159(266)120(64-91(10)11)219-160(267)123(67-102-41-30-27-31-42-102)223-161(268)122(66-101-39-28-26-29-40-101)222-151(258)112(47-38-60-199-180(190)191)212-149(256)110(45-36-58-197-178(186)187)211-150(257)111(46-37-59-198-179(188)189)213-156(263)117(61-88(4)5)220-167(274)130(74-139(250)251)228-153(260)114(49-53-134(185)242)216-174(281)142(95(17)24-2)236-171(278)132(82-239)231-148(255)109(44-33-35-57-182)208-135(243)80-200-147(254)108(43-32-34-56-181)210-166(273)129(73-138(248)249)229-165(272)127(71-106-78-195-86-204-106)226-158(265)119(63-90(8)9)218-157(264)118(62-89(6)7)217-152(259)113(48-52-133(184)241)214-162(269)124(68-103-75-192-83-201-103)224-154(261)115(50-54-136(244)245)215-170(277)131(81-238)232-172(279)140(93(14)15)233-145(252)97(19)183/h26-31,39-42,75-79,83-100,108-132,140-144,238-240H,23-25,32-38,43-74,80-82,181-183H2,1-22H3,(H2,184,241)(H2,185,242)(H,192,201)(H,193,202)(H,194,203)(H,195,204)(H,196,205)(H,200,254)(H,206,280)(H,207,283)(H,208,243)(H,209,253)(H,210,273)(H,211,257)(H,212,256)(H,213,263)(H,214,269)(H,215,277)(H,216,281)(H,217,259)(H,218,264)(H,219,267)(H,220,274)(H,221,270)(H,222,258)(H,223,268)(H,224,261)(H,225,266)(H,226,265)(H,227,271)(H,228,260)(H,229,272)(H,230,282)(H,231,255)(H,232,279)(H,233,252)(H,234,262)(H,235,275)(H,236,278)(H,237,276)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,284,285)(H4,186,187,197)(H4,188,189,198)(H4,190,191,199) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZOWOHMFPXMYFKJ-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Ontology | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physiological effect | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Disposition | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Process | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Role | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Molecular Properties |
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| Experimental Chromatographic Properties | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Molecular Properties |
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| Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Biological Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Cellular Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Biospecimen Locations |
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| Tissue Locations | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Pathways |
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| Normal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Abnormal Concentrations | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated Disorders and Diseases | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Disease References | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Associated OMIM IDs | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FooDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 155886551 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Food Biomarker Ontology | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| VMH ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| MarkerDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synthesis Reference | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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