HMDB0039542 RDKit 3D Olitoriusin 122129 0 0 0 0 0 0 0 0999 V2000 -2.9660 1.4603 2.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 0.2930 2.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 0.7918 1.8758 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0196 -0.2486 1.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 0.1256 1.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 0.2855 1.9031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7227 1.7075 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 1.7677 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 1.1560 1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7365 2.2356 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0951 2.1278 2.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8471 0.8126 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7169 1.9583 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7582 1.4174 -1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 0.6648 -0.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8357 1.6702 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4102 -0.3797 -1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8431 -0.2774 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3102 -0.0094 -3.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7616 0.0311 -3.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5344 0.2578 -4.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -0.2240 -1.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0106 -0.4762 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0648 -1.7430 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9546 -1.3684 0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 -0.0859 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 0.6765 1.3988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 -0.3804 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0965 -1.5216 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 -1.0816 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6762 -0.0069 1.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4723 0.4554 3.1803 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -0.6292 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -1.4498 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 -1.0378 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -2.2166 -0.2239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 -0.5342 1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 0.0366 0.8043 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1617 -0.6436 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7311 -0.9211 -0.3295 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0678 -0.5418 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5569 -0.9615 -1.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8698 -0.6694 -2.0459 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2387 0.6434 -1.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2869 0.7365 -1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0724 -0.4009 -1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1124 -0.5461 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8449 -1.6951 -0.4564 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6940 -0.4155 -2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0781 -0.4375 -2.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2850 0.7572 -3.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1748 1.8146 -3.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8432 1.1680 -3.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0569 0.9253 -4.4006 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8285 -1.1509 0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6464 -2.5348 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4082 -0.4636 1.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3844 -1.3691 3.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0718 0.1988 1.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1261 1.5196 1.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 1.1914 3.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 1.9920 2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2618 2.2343 3.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -0.3050 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 -0.4303 3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 0.1009 2.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 2.3568 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1182 2.2081 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 1.3287 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 2.8389 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 3.1887 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1337 0.6400 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 2.3838 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1368 2.7773 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2277 2.3044 -2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 0.8044 -2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2835 1.4315 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3076 2.6632 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6028 1.8047 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8549 -0.3904 -2.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 0.1551 -4.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0472 0.1894 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0247 -1.5569 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9547 -2.3940 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1769 -2.1898 -1.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0022 -1.1197 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5913 -2.1424 0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1329 0.3927 1.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8391 -0.7405 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 -2.4688 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 -1.7145 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -0.7990 2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -1.9583 2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 0.0914 3.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 -1.6283 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -0.7229 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.0069 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -2.1882 2.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.2623 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 -2.1008 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2291 -1.4836 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 -1.6045 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1955 0.5486 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4041 -2.0471 -1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8587 -0.4923 -2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4131 1.3398 -1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4480 -1.3338 -1.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5387 -0.7500 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7464 0.3601 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7301 -1.7142 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4098 -1.3363 -3.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5385 -0.5339 -3.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4272 0.4886 -4.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8666 2.4038 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8656 2.2918 -3.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5810 1.7209 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9288 -1.0084 0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0144 -2.8975 -0.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1349 0.3492 2.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7611 -2.2391 2.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5522 0.1792 2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9383 2.1367 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 17 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 4 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 46 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 41 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 37 2 1 0 59 39 1 0 33 6 1 0 53 44 1 0 31 9 1 0 28 12 1 0 26 15 1 0 23 18 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 4 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 10 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 16 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 19 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 27 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 36100 1 0 37101 1 0 39102 1 0 41103 1 0 42104 1 0 42105 1 0 44106 1 0 46107 1 0 47108 1 0 47109 1 0 48110 1 0 49111 1 0 50112 1 0 51113 1 0 52114 1 0 53115 1 0 54116 1 0 55117 1 0 56118 1 0 57119 1 0 58120 1 0 59121 1 0 60122 1 0 M END