HMDB0034215 RDKit 3D Solacaproine 61 60 0 0 0 0 0 0 0 0999 V2000 1.2550 4.2665 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3823 4.9808 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 4.4493 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 3.1272 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3664 1.9993 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.6843 -0.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 0.7522 -1.9129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -0.5427 -0.4166 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 -0.8079 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -1.2783 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1550 -0.3352 -0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 0.8771 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 0.3066 1.5263 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 1.4069 2.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4837 -0.3431 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8672 -1.6540 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 -1.7631 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9343 -2.9063 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2128 -2.9968 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -4.0842 -0.4146 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2077 -4.1749 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 -3.8307 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 5.0814 1.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7414 3.6831 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 3.6740 0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 6.0410 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6137 5.1768 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2813 4.5096 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 5.2240 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 2.8962 -2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 3.1075 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 2.0089 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3954 2.1238 0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 -1.4812 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0518 0.1623 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 -2.2810 -0.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 -1.4751 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 0.0462 -1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 -0.8264 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 1.5382 -0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 1.3756 0.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6053 1.2050 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 1.5817 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 2.3323 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3115 -0.2782 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 -1.4012 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8220 0.1991 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -2.5957 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -1.4202 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -0.8433 -0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 -1.8979 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 -3.8119 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1720 -2.6371 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7300 -2.0371 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 -3.2416 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5307 -3.1231 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9661 -4.7752 -0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9054 -4.5815 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2303 -4.3378 -2.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4846 -4.2923 -2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3060 -2.7619 -2.0571 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 1 0 5 6 1 0 6 7 2 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 13 15 1 0 8 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 14 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 21 56 1 0 21 57 1 0 21 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 M END