HMDB0007036 RDKit 3D DG(14:0/24:1(15Z)/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 -11.1928 -2.3796 -4.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0042 -2.9134 -2.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3053 -1.7729 -2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1112 -2.3491 -0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4990 -1.3503 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2640 -0.7263 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7301 0.2319 1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6433 0.9373 2.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7685 -0.0306 3.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4797 -0.1915 3.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7055 0.6378 2.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0316 -0.2826 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2547 0.5410 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2358 1.3725 0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2485 0.5012 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3032 1.4345 2.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2493 0.7428 3.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -0.0788 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2802 -0.7738 2.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -0.0288 3.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 0.9048 3.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 2.0205 2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0547 3.0436 1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 2.3899 0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 3.1137 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9823 1.1178 0.3844 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 0.6183 -0.5076 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8505 -0.3955 0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -0.8767 -0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 -0.0117 -1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -0.4558 -2.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 0.4969 -3.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1812 1.7101 -2.8713 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 0.1385 -3.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8741 0.1641 -3.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 1.5045 -2.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2562 1.6821 -1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 1.4279 -1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0878 0.0499 -2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 0.1156 -2.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1091 -1.2791 -2.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8806 -2.2024 -1.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5963 -1.6990 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0921 -1.6324 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6768 -1.0879 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0717 0.3109 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1113 -2.5943 -3.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2958 -1.2789 -4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5418 -2.8982 -5.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4490 -3.6681 -2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9791 -3.3191 -3.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8654 -1.0007 -2.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3407 -1.3843 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0178 -2.8815 -1.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5291 -3.1646 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1260 -0.5275 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0365 -1.9038 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6305 -1.5412 1.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7147 -0.2276 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3161 -0.3497 2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3595 1.0059 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1496 1.7177 2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1937 1.5145 3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2655 -0.6986 4.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 -0.9675 3.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3085 1.3632 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9219 1.2094 2.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4449 -1.0162 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8296 -0.8583 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9011 1.1657 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 -0.1904 -0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6388 1.9077 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 2.1606 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 -0.0945 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7688 -0.1523 2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 2.0265 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8490 2.1766 3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 1.5153 3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7074 0.0266 3.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 -0.9345 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2138 0.4763 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 -1.4452 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7566 -1.5638 3.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 -0.8201 4.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 0.4666 4.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3619 1.2846 3.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3068 0.3051 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7928 2.5281 2.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 1.5437 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4235 3.8093 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5303 3.5879 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 1.4532 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -1.1839 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 0.2057 1.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -1.4871 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 0.6421 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 -0.8968 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 -0.8831 -4.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6831 0.8943 -4.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8966 -0.6324 -2.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6498 -0.0035 -3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 2.2909 -3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2133 1.9011 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 2.7840 -1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 1.1704 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9225 2.1493 -2.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3539 1.8093 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6428 -0.3698 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8894 -0.6577 -1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7362 0.7261 -3.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0886 0.6066 -1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1889 -1.2361 -3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6161 -1.6742 -3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8329 -2.4459 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3672 -3.1811 -2.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2448 -0.6904 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3072 -2.3590 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4276 -1.0434 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4901 -2.6628 -0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7638 -1.0536 0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3195 -1.7347 1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8647 0.9234 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8928 0.7929 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 0.2255 1.4027 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 6 28 93 1 0 28 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 46124 1 0 M END