HMDB0254202 RDKit 3D Luminespib 65 68 0 0 0 0 0 0 0 0999 V2000 -0.0296 6.7106 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6007 6.7567 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4674 5.6110 -0.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 4.3143 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 4.1827 -0.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 3.1030 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 3.0862 -1.1574 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 1.8546 -1.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 1.0277 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 -0.4098 -1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -1.0510 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 -2.4101 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3147 -3.0716 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0224 -2.0999 1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3505 -3.9601 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 -3.1505 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 -4.5296 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8837 -2.5075 -1.9059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7616 -1.1232 -1.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9253 -0.5119 -2.8482 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 1.8039 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 1.3196 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0781 1.6158 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3772 1.1657 -1.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6647 0.4413 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0429 -0.0082 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2029 -0.9812 1.3027 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -2.1639 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 -3.2924 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 -2.7867 -0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2654 -2.2650 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -1.1498 1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.1532 0.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 0.6002 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4525 7.5342 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 5.7580 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 6.7399 0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 7.7043 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2103 6.6605 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4861 5.6941 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -0.4213 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6875 -3.7204 1.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5981 -1.3288 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7352 -2.6213 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -1.6380 2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -4.9984 0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2011 -4.0387 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7826 -3.5184 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 -5.0590 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -3.0946 -2.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 -1.0681 -3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8309 2.1852 -2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 1.4115 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -0.4091 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7334 0.8465 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9569 -2.5284 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 -1.9688 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -3.9430 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -3.8710 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2341 -1.9361 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5234 -3.0980 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1494 -0.1926 1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 -1.3017 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 -0.4213 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4173 0.3688 1.3583 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 12 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 9 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 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 25 33 1 0 33 34 2 0 21 6 1 0 34 22 1 0 19 10 1 0 32 27 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 15 48 1 0 17 49 1 0 18 50 1 0 20 51 1 0 23 52 1 0 24 53 1 0 26 54 1 0 26 55 1 0 28 56 1 0 28 57 1 0 29 58 1 0 29 59 1 0 31 60 1 0 31 61 1 0 32 62 1 0 32 63 1 0 33 64 1 0 34 65 1 0 M END