HMDB0007637 RDKit 3D DG(22:1(13Z)/22:0/0:0) 142141 0 0 0 0 0 0 0 0999 V2000 15.2020 3.8742 2.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6796 2.8109 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8582 1.4002 1.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2405 0.4901 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3450 -0.9266 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9164 -1.9168 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5697 -1.9250 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2289 -0.7850 -1.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8407 -0.8631 -1.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9422 0.0650 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2217 1.2449 -0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4218 1.4675 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9872 1.7561 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1600 0.7278 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2516 -0.6165 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 -1.6361 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4013 -2.9943 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6937 -4.0229 -0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2955 -3.9909 -0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 -4.0197 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9663 -2.9314 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6971 -1.5877 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -1.2871 -0.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 -0.5893 1.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9003 0.7230 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9922 0.9076 -0.3172 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7000 2.4077 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 2.6820 -1.4672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2197 0.1809 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 -0.6831 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 -0.7418 -2.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8375 -1.5160 -1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.7106 -1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 0.5507 -1.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 0.1841 0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0887 -0.6871 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0283 0.1385 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2881 -0.6337 -1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1581 0.2461 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7351 1.3966 -1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8939 1.3528 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0990 0.3879 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4400 -0.9910 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7488 -1.9544 1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0443 -1.9736 1.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7498 -0.8531 2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4030 0.1642 1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0703 1.2600 2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6905 2.2969 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7251 1.7133 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3453 2.7946 -0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2964 3.4723 -1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3652 4.4982 2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8291 4.5645 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8103 3.4555 2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 2.9556 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1404 2.8409 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9090 1.1485 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2656 1.3098 2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1584 0.8347 0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7374 0.7713 -0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4103 -1.1917 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7400 -1.0700 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0737 -2.9661 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6574 -1.9120 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -2.8658 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 -2.0297 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6280 0.1865 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8404 -1.0741 -2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5698 -1.7555 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 -0.1274 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9902 2.1487 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2896 1.3220 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5305 0.5745 1.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8968 2.2949 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6188 1.8490 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 2.7796 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0579 1.0452 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0919 0.6983 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2548 -1.0393 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8253 -0.5005 1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 -1.1581 -0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8613 -1.7770 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 -3.3002 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -2.9327 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 -4.1438 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 -5.0562 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 -3.1062 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 -4.8571 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -5.0431 0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2293 -4.0116 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 -3.1085 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8627 -2.7869 1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4473 1.1876 1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2931 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4593 0.6384 -1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2617 2.7747 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6673 2.9348 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 1.9416 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 -2.3860 -1.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 -1.8650 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 -0.3917 -2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 -1.3178 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 1.0293 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7872 1.3021 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -0.3110 0.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1911 1.0938 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4973 -0.9426 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8672 -1.6166 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5124 0.3279 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2478 1.1112 -0.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9797 -1.4939 -2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6545 -1.0762 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9424 -0.4018 -2.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5212 0.5917 -3.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9227 2.2074 -2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9183 1.9649 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8674 1.4244 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9155 2.3955 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0152 0.2352 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7048 0.6877 1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8065 -1.4665 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4204 -0.8166 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9093 -1.9014 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5428 -3.0341 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7533 -2.5121 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0109 -2.8561 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5469 -1.2937 3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0266 -0.3145 2.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7963 0.5899 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2456 -0.3806 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2780 1.6855 2.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8652 0.7435 2.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9146 2.7872 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1921 3.0418 2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3033 0.9619 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5440 1.2033 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8121 3.5635 0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0812 2.3390 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8167 4.0344 -2.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6072 2.7472 -1.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7756 4.2165 -0.6475 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 2 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 6 27 97 1 0 27 98 1 0 28 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 52142 1 0 M END