HMDB0285826 RDKit 3D PC(15:0/LTE4) 144143 0 0 0 0 0 0 0 0999 V2000 -2.5579 6.8395 -5.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5258 5.4049 -5.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 4.5082 -4.8346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 4.5594 -3.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 4.1197 -3.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 2.7258 -3.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2407 2.2820 -4.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 3.0779 -5.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 2.8579 -5.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7278 2.0472 -4.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2258 1.1537 -3.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 0.3671 -3.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5516 -0.5356 -2.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3537 -1.3250 -1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -2.2945 -0.3786 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2691 -2.2152 0.0933 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.7733 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -2.6378 -0.4507 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2414 -3.1341 -1.5409 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -1.2406 -0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 -0.5630 -1.1948 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -0.5754 1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 0.7769 1.1415 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1768 1.6444 1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 1.7770 1.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0206 2.6065 2.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5135 3.1892 3.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4362 2.8299 1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 2.0223 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 2.2069 0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1938 1.8017 1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9434 0.3360 2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -0.1231 3.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -1.5551 3.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 -1.8212 3.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -3.2589 4.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 -3.4740 4.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -2.6478 5.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -2.9814 5.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0919 -2.2097 7.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -2.5993 8.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 0.8092 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8249 2.1456 1.9605 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3540 2.2497 2.7029 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0554 3.5314 2.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 2.2165 4.3839 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.3268 0.9541 2.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8356 1.1576 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6748 -0.0575 0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2613 0.0197 -0.7413 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.8649 -1.1750 -1.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8393 1.1561 -1.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7137 -0.0209 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3889 -3.6634 -0.8854 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6671 -3.9216 -2.0817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8392 -3.7213 -1.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 -3.4127 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2386 -3.4605 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 -4.8137 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6517 -5.0072 -1.7874 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7764 -5.9281 -0.8818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 7.5566 -6.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 6.9434 -4.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6099 7.0496 -5.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 5.3814 -6.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 5.1068 -6.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 3.4395 -5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3075 4.8084 -4.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 3.9241 -2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 5.5895 -3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9588 4.1130 -2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4946 4.8495 -3.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 1.9696 -3.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2868 1.1876 -4.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 4.2050 -5.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 2.9704 -6.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 3.4719 -6.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 2.0368 -4.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2147 1.0636 -3.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 0.4190 -3.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.5338 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4218 -1.2309 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -2.0714 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 -3.8448 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -2.2021 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -3.2869 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -4.1352 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2283 -3.1627 -1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 1.1988 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2404 1.4340 3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 2.6951 1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 2.5685 2.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 3.9083 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 0.9625 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2998 2.4633 -0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 3.2444 0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5582 1.5161 -0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 2.4708 2.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 1.8492 1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -0.2649 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 0.1662 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 0.4828 4.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 0.0162 2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 -2.2848 2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 -1.7425 4.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -1.1167 4.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -1.6079 3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 -3.9157 3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5558 -3.6037 5.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -4.5464 4.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -3.3206 3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.5803 5.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5527 -2.9893 6.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -4.0597 6.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0293 -2.6480 5.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1456 -2.5416 7.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -1.1152 6.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -3.7151 8.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.1587 8.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -2.2306 9.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 0.3870 2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 0.3114 1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5318 2.0490 0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0721 1.3810 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5244 -0.1194 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1059 -0.9911 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8148 -2.0341 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8309 -0.9953 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5350 -1.3704 -2.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4531 1.1174 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7898 1.0370 -1.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0267 2.1343 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0819 1.0364 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0373 -0.3790 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1088 -0.6487 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1898 -4.4896 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2361 -4.3370 -2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 -3.0802 -2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 -4.7663 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5807 -2.4251 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -4.1383 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 -2.7365 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9101 -3.1439 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 -6.6504 -0.2106 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 50 53 1 0 15 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 15 83 1 1 17 84 1 0 17 85 1 0 18 86 1 1 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 51127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 54136 1 1 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 61144 1 0 M CHG 2 46 -1 50 1 M END