HMDB0038284 RDKit 3D Enterocin 900 67 72 0 0 0 0 0 0 0 0999 V2000 -1.7807 6.2899 -1.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 5.9662 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5596 4.6442 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 3.6055 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5332 2.2026 -0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7233 1.6552 -0.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6813 0.3988 0.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6634 -0.5743 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -1.8393 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -2.1387 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -1.1713 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 0.1157 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 1.2520 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 1.3910 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 1.6141 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 1.7411 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 1.6496 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 1.7531 0.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 1.9393 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 0.8305 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6561 -0.3771 -0.1652 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 -1.4564 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1253 -2.6147 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 -2.3187 0.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5391 -0.8844 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 1.4209 1.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3872 1.2975 1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 -3.4362 1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2173 -4.5665 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 -4.1120 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4106 -3.9297 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 -2.7586 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 3.9206 -1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4796 5.2606 -2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5909 7.3161 -1.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 6.7863 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 4.4491 1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6910 -0.3093 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 -1.3828 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 1.6924 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 1.9376 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 2.9126 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 1.9905 0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 0.6603 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 1.1528 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0578 -1.2903 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2870 -1.6353 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -2.5351 0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9771 -3.5676 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 -2.3875 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1141 -2.9649 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -0.4001 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.9140 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1348 1.3424 2.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 1.1206 2.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 -3.4767 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 -3.5081 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 -5.3822 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 -4.9397 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -3.1533 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9337 -4.8560 -1.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7165 -4.8936 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0701 -3.7866 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4269 -2.1956 0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5376 -3.1839 1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.1384 -2.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 5.4933 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 17 26 1 0 26 27 2 0 10 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 4 33 1 0 33 34 2 0 34 1 1 0 13 5 2 0 27 14 1 0 12 7 1 0 25 21 1 0 32 9 1 0 1 35 1 0 2 36 1 0 3 37 1 0 8 38 1 0 11 39 1 0 15 40 1 0 16 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 20 45 1 0 22 46 1 0 22 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 24 51 1 0 25 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 28 57 1 0 29 58 1 0 29 59 1 0 30 60 1 0 30 61 1 0 31 62 1 0 31 63 1 0 32 64 1 0 32 65 1 0 33 66 1 0 34 67 1 0 M END