HMDB0007194 RDKit 3D DG(18:1(11Z)/20:0/0:0) 124123 0 0 0 0 0 0 0 0999 V2000 16.2662 -1.8454 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1852 -1.5872 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7876 -1.6252 1.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 -0.6034 0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3692 0.8043 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3950 1.7600 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2694 1.5157 -0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1811 1.1958 -1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8892 1.0377 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3801 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0144 -0.5044 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9567 0.4262 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 0.2475 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -1.1444 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8347 -1.3043 0.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3033 -2.7059 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -2.8559 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 -1.9466 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 -2.3560 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 -0.6437 1.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.3086 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 0.5789 -0.8348 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2055 1.2264 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4745 2.3679 -0.6599 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 1.5775 -0.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 1.2852 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2903 0.1387 -2.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 2.3181 -1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 2.1798 -0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8061 0.8183 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7420 0.6743 0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8860 1.6596 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 1.4749 1.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2919 0.1099 1.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0601 -0.4207 0.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3334 0.2370 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2710 1.5593 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4649 2.3178 -0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5136 2.6703 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6126 1.9455 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8283 0.6951 1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7573 -0.5999 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8050 -0.6701 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6723 -1.9729 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8922 -3.1222 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7700 -4.3983 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2526 -2.0615 -0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7014 -0.9622 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9279 -2.7160 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7439 -0.6790 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7294 -2.4441 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 -2.6262 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8145 -1.5486 2.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8848 -0.6981 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7277 -0.8180 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 0.9730 0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3177 1.0306 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4534 1.8354 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8820 2.7849 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1876 1.6088 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2029 1.0318 -2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1272 1.6808 -1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8223 1.3681 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1894 -0.6068 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0122 -1.1362 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2127 -0.2726 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6901 -1.5636 -0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 0.2888 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 1.4942 -0.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 0.4276 0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9331 1.0153 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 -1.3975 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8364 -1.8857 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0225 -1.1330 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -0.5687 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0797 -2.8872 -0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 -3.4493 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 -3.8937 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -2.5330 2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 1.2905 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 0.0936 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6497 -0.3242 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 1.6291 -2.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0506 0.5696 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7516 3.0201 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8315 3.3448 -1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 2.1575 -2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5231 2.2559 0.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 2.9995 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 0.6059 -1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 0.0056 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -0.3788 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 0.6965 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3792 1.5334 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5206 2.7127 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9392 1.5618 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3715 2.3201 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8617 -0.0291 2.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3897 -0.5761 2.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2769 -1.5407 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4392 -0.4328 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7696 -0.4762 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0246 0.1706 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6062 1.4794 -1.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7186 2.2535 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9178 1.7700 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0248 3.2541 -1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9460 3.7132 -0.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9698 3.2302 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4464 1.9516 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1826 2.7571 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0804 0.5927 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8149 0.7090 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8248 -0.8228 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9668 -1.4087 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6574 0.1412 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7933 -0.5185 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6299 -2.1028 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3421 -2.0254 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0721 -3.1272 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8975 -3.0478 0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1057 -5.2400 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7163 -4.5444 -1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4195 -4.3255 -1.8607 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 2 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 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 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 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 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 8 61 1 0 9 62 1 0 9 63 1 0 10 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 21 80 1 0 21 81 1 0 22 82 1 6 23 83 1 0 23 84 1 0 24 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 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