HMDB0253201 RDKit 3D homocamptothecin 45 49 0 0 0 0 0 0 0 0999 V2000 -4.8992 1.7553 -0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7750 0.7655 -0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9007 0.7274 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3695 1.9921 0.5165 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 0.3027 1.5208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.8324 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7207 -0.6352 1.3979 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 -2.0632 0.7319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 -2.4526 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -1.6307 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 -0.2602 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 0.3642 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -0.4260 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4775 -1.7765 -0.2775 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -2.3919 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -3.6231 -0.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7832 -2.3499 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6932 -1.1624 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0817 -1.1069 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 0.1220 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0704 0.1977 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 1.3989 -0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 2.5267 -0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 2.4770 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 1.2728 -0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 1.1537 0.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 -0.0155 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 2.7389 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8436 1.4340 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0684 1.8372 0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 1.1017 -1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 -0.2012 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 2.5794 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1298 1.1244 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 -0.0723 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 -2.4947 -1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 -3.5174 0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4859 1.4413 0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -3.1116 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8939 -2.7238 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 -1.9939 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 -0.7225 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8202 1.3828 -0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 3.4831 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 3.3855 0.2333 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 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 14 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 11 3 1 0 27 13 1 0 15 10 1 0 27 18 1 0 25 20 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 17 39 1 0 17 40 1 0 19 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 M END