HMDB0113571 RDKit 3D PE-NMe(22:2(13Z,16Z)/18:2(9Z,12Z)) 140139 0 0 0 0 0 0 0 0999 V2000 15.5842 -4.2936 2.8642 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5378 -4.2224 1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1487 -4.1000 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5107 -2.8414 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0794 -2.6893 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5414 -1.4283 1.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1505 -0.4371 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2064 -0.4804 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0931 0.5909 -1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6696 1.5051 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3023 1.6321 -2.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 2.9615 -2.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 3.1624 -2.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 2.1109 -2.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9835 2.3058 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8825 1.4425 -2.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3064 1.4443 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 1.1442 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7247 0.9858 1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0697 2.0814 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 2.6461 1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7636 1.5678 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 1.3003 2.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 0.8134 0.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -0.1989 0.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9713 0.2936 0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5739 1.1557 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5624 0.4545 -1.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 1.4121 -2.6107 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2460 1.4018 -3.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 0.8380 -3.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 2.9830 -2.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 3.3156 -1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8552 4.7209 -1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2323 5.0731 -1.1255 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8461 4.3249 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8428 -0.8494 0.9524 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 -1.1141 2.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -0.2994 3.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5405 -2.2611 2.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 -2.0933 3.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 -0.8563 3.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1726 -1.0101 2.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0003 0.2605 2.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9918 0.1549 1.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9599 -1.0045 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6868 -0.7618 2.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9810 -0.6180 2.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8490 -0.6816 1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8193 -1.7867 1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9394 -2.8304 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1153 -3.0436 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0972 -3.1021 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8066 -1.7570 -1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8147 -1.6313 -2.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2242 -1.7623 -4.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6708 -4.3832 3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0643 -5.2054 3.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1898 -3.4371 3.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0713 -5.1194 0.9886 H 0 0 0 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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 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 31101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 36108 1 0 36109 1 0 40110 1 0 40111 1 0 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