HMDB0035032 RDKit 3D Epilubimin 41 42 0 0 0 0 0 0 0 0999 V2000 4.1372 -0.7677 1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1007 -0.0385 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0639 1.3950 1.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 -0.6664 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 0.1011 -1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3839 0.1213 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -0.1279 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -0.5864 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9674 1.1372 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5675 1.9788 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 0.8911 1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -0.0807 0.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0464 -0.2111 1.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -1.3991 0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4089 -1.1433 -0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 -2.4024 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 -3.2551 -0.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.3022 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 -1.8233 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 1.5098 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0196 1.9216 0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 1.9076 0.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 -1.7193 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4301 -0.4762 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 1.1137 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 -0.6998 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 1.0499 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -1.5491 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 0.1419 1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1335 1.7484 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 2.6363 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 2.6961 -1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 1.3515 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 1.8489 1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4269 0.3646 2.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 0.3203 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 0.0710 1.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -1.5905 1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0101 -2.1707 0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0752 -0.6650 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -2.6310 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 8 4 1 0 15 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 M END