HMDB0031398 RDKit 3D Mosin C 104105 0 0 0 0 0 0 0 0999 V2000 -13.0844 -3.1240 -0.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3746 -3.4341 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1086 -2.5730 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5408 -1.1465 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4007 -0.1521 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4979 -0.3918 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3657 0.5582 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 0.5842 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6953 -0.7060 0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7467 -0.6305 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 0.4003 1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 0.1348 0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7714 1.2921 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5778 2.4503 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9999 1.1203 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 0.0104 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 0.8363 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0839 2.0646 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 1.9018 -2.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 0.6966 -2.7971 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 2.4623 -2.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3632 2.1567 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 2.5685 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 2.3180 0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7273 3.0206 0.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3439 2.6959 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5540 3.4828 -1.6981 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 1.2312 -0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 1.0521 -2.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7276 -0.2587 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 -0.9059 -2.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8999 -1.2273 -0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8281 -2.0659 -0.5997 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 -2.0943 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0182 -2.3548 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0846 -1.9653 1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -2.4617 3.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5102 -1.3089 4.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5495 -3.1871 3.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9654 -3.1420 1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9954 -3.6794 1.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 2.2226 -1.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3526 -2.7741 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5683 -4.0248 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7799 -2.2865 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0057 -4.4830 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9986 -3.2890 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5357 -2.8913 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5898 -2.8073 1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1436 -1.0434 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2563 -0.9398 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8700 -0.1600 1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8720 0.8499 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1252 -0.2494 -1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1544 -1.4508 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7826 1.5956 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8627 0.3801 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 1.3164 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8951 1.0190 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4523 -1.4853 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1362 -1.0180 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2751 -0.4037 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -1.6073 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 0.3017 2.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0346 1.4459 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3311 0.1879 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -0.7850 0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 1.3822 1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 2.5968 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 0.8275 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3229 -0.6554 0.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 -0.5662 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0593 1.1474 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 0.2949 -0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3947 2.9687 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 2.6198 -2.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3364 0.0613 -2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 2.4380 -3.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 3.6224 -2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 2.7148 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6963 1.0783 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 2.2092 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0948 3.7068 -0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 1.1879 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1776 2.5505 1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4995 2.8908 1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 4.1461 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8706 0.5877 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4374 1.0640 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9931 1.8818 -2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 1.3377 -3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 -1.0100 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7266 -0.2847 -3.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8584 -0.2735 -2.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1060 -1.8355 -2.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0112 -0.3618 -0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 -2.9846 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1155 -3.0318 -1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0141 -1.4589 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2111 -1.3600 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5404 -3.1342 3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6099 -1.2771 4.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5649 -0.3815 3.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4115 -1.4680 4.7809 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 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 18 42 1 0 42 15 1 0 40 35 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 17 74 1 0 18 75 1 0 19 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 36100 1 0 37101 1 0 38102 1 0 38103 1 0 38104 1 0 M END