HMDB0254735 RDKit 3D Miltefosine 73 72 0 0 0 0 0 0 0 0999 V2000 10.9296 -0.7751 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9368 0.1393 -0.7775 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6347 -0.0263 -0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5295 0.8822 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2904 0.7094 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5027 -0.5246 0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 -0.7332 -1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 0.4715 -1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 0.8706 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 0.0141 -0.9454 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 -0.9416 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 -0.1424 1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 0.6817 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -0.1864 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6739 0.4293 0.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7824 -0.3047 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 0.1814 -1.1705 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 -1.3105 -0.9538 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0799 -2.3627 -0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6017 -1.8059 -2.4388 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2487 -0.9242 0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4428 0.5167 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9805 0.4774 -0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6539 -0.1562 0.6787 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.0835 -0.0865 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -1.6006 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4019 0.3909 1.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4965 -1.7458 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0093 -0.2687 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8815 -0.7472 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -0.3589 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2957 1.1472 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 0.0149 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 -1.1103 -0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3755 0.6811 -1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8877 1.9119 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6195 1.6093 -0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5641 0.9189 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8074 -0.6288 0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2467 -1.3944 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3559 -1.6467 -1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 -0.7579 -1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 1.3402 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7678 0.2547 -2.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 0.7855 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 1.9459 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7387 0.5233 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -0.6931 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0339 -1.7248 0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3769 -1.4199 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -0.8208 2.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 0.5816 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 1.3969 0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 1.3192 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7386 -0.4023 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3232 -1.2437 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 0.3017 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5663 1.4947 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 -1.3417 -0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 0.1663 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2778 1.0445 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8852 0.8632 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2649 1.4596 -0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9806 -0.2105 -1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6354 -0.5857 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3397 0.9593 0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0924 -0.6550 -0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1851 -2.0088 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6139 -1.9115 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3407 -2.1114 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 1.4894 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3990 -0.0035 2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1441 -0.0437 2.6636 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 1 0 7 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 18 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 25 65 1 0 25 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 26 70 1 0 27 71 1 0 27 72 1 0 27 73 1 0 M CHG 2 20 -1 24 1 M END