HMDB0000937 RDKit 3D Stigmasterol 78 81 0 0 0 0 0 0 0 0999 V2000 7.9389 1.6838 -0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 1.5718 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5152 0.9911 -0.4689 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2334 1.0149 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4128 0.0203 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 0.0573 1.1882 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0007 1.2328 2.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0319 -0.2189 0.2382 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1959 -1.5793 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 -2.0768 -0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0249 -0.8520 -0.4899 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4932 -1.0330 -0.3795 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0404 -1.2269 -1.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3599 -0.6315 -1.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1373 -0.0695 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 0.4861 -1.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0764 1.3660 -0.4477 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4572 1.4235 -0.5905 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7805 0.8618 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 1.0037 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 -0.0406 0.3226 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7603 -1.3796 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1228 0.1985 0.1807 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4728 0.7251 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0177 1.0215 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 -0.2883 0.7627 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5569 -1.2971 1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7818 -0.3180 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9602 -0.3362 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 -1.4282 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4948 0.7616 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 2.4323 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5192 2.2126 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2199 2.6292 0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5862 1.1024 1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3434 1.7242 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9950 1.9484 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6203 -0.9040 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -0.8274 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 0.9663 2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0273 1.4189 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7225 2.1769 1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 0.5124 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -1.5211 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -2.2911 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -2.9346 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2608 -2.4374 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -0.1196 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 -1.9680 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0438 -2.3109 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -0.7465 -2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 -0.6521 -3.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 1.0741 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1525 -0.3456 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7066 2.4290 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7215 1.7063 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0911 -0.2007 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3573 1.4771 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 2.0287 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0748 0.7693 2.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6678 -1.4725 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9122 -1.4728 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7733 -2.1786 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 0.9976 -0.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 1.6502 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 0.0198 2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.5865 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 1.6391 1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3711 -1.9099 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7879 -0.8301 2.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -2.0169 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 -0.5849 -1.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7896 -1.0106 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3244 0.6535 -2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 -0.8361 -3.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 -1.1470 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4915 -2.3651 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1069 -1.7151 -0.0582 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 2 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 1 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 1 3 28 1 0 28 29 1 0 28 30 1 0 26 8 1 0 26 11 1 0 23 12 1 0 21 15 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 6 4 37 1 0 5 38 1 0 6 39 1 1 7 40 1 0 7 41 1 0 7 42 1 0 8 43 1 6 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 6 12 49 1 1 13 50 1 0 13 51 1 0 14 52 1 0 16 53 1 0 16 54 1 0 17 55 1 1 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 22 61 1 0 22 62 1 0 22 63 1 0 23 64 1 6 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 30 78 1 0 M END