HMDB0114216 RDKit 3D PE-NMe2(20:1(11Z)/18:1(11Z)) 141140 0 0 0 0 0 0 0 0999 V2000 14.2110 3.9251 -2.7608 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9778 4.7286 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5071 4.8483 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 5.4222 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9882 4.6693 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8546 3.3042 0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6901 2.6301 -0.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6584 2.2560 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 2.4912 1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5586 1.3226 2.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4629 0.3430 2.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1828 -0.4744 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0592 -1.4592 1.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -0.7885 2.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 0.1150 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.7884 1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7983 -0.0916 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 -0.9859 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -1.0066 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3603 -1.8620 0.3921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -2.6942 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 -2.6733 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7867 -1.4815 -1.7251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0186 -0.2973 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.2400 0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 0.9187 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9218 2.0363 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9661 1.9163 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3536 1.5079 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4896 0.1098 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 -0.1926 -1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3557 0.7106 -2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7429 0.3569 -2.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 0.5562 -1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0986 0.1913 -2.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0881 1.0340 -2.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0217 2.4436 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0601 2.6887 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8264 1.8349 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8675 2.1252 1.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2243 1.8356 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3491 2.0972 2.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3423 3.5485 2.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4627 3.8251 3.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3793 -4.1486 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 -4.2849 0.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 -5.6994 0.4990 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1267 -5.4273 1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -6.1076 -0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -7.0604 0.6648 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2645 -7.0504 1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -8.4623 1.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4633 -9.0963 0.1361 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 -9.4612 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -8.5487 -0.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5504 4.5587 -3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9708 3.5324 -3.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 3.0309 -2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0418 4.3120 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1560 5.7443 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2504 5.5199 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5550 3.8388 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1348 6.4266 -0.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0318 5.7301 0.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9637 4.5394 -1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 5.2066 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9798 3.3505 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7606 2.7143 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6868 2.4321 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8393 1.7850 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5804 3.0297 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 3.2983 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5203 0.6820 2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7327 1.6217 3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -0.3039 3.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 0.9289 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -1.0645 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8351 0.1089 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 -2.1375 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3676 -2.0809 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.2300 2.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 -1.5792 2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -0.4116 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 0.9467 0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7046 1.4470 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0507 1.4838 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8483 -0.6475 2.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9104 0.5970 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -2.5429 -1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -3.4317 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -3.0605 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.3514 -2.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1609 0.7298 -2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0306 2.5739 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2876 2.8576 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0931 2.9549 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6799 1.2086 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0431 1.6437 0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 2.2547 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1525 -0.5858 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 -0.0531 -1.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5292 0.0363 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9994 -1.2446 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 1.7854 -1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6657 0.6586 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9988 0.9703 -3.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7178 -0.7198 -3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6254 1.5472 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4287 -0.1532 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1964 -0.8662 -2.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0487 0.6104 -2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 2.8501 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3649 3.0310 -2.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1390 3.7442 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0322 2.4271 -1.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9296 0.7489 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8153 1.9341 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7947 3.2086 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6728 1.5613 2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2726 0.8043 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4265 2.5657 0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3287 1.4530 2.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3009 1.9346 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3896 3.8598 2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5174 4.1361 1.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2557 4.7268 4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5800 2.9458 4.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4119 4.0260 2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -4.8365 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.2715 0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2583 -6.0153 -1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -6.6574 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 -6.4980 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -8.3568 1.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -9.1088 2.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5662 -9.2672 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 -10.5673 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6731 -8.9769 -1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -9.3888 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1944 -7.8160 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 -8.1191 -1.6312 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 24 25 2 0 24 26 1 0 26 27 1 0 27 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 2 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 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 49131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 54136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 55141 1 0 M END