HMDB0114470 RDKit 3D PE-NMe2(22:2(13Z,16Z)/16:1(9Z)) 139138 0 0 0 0 0 0 0 0999 V2000 17.7864 1.6774 -1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1206 2.9811 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7237 2.7880 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0968 4.1388 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6999 3.8598 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9114 3.0705 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4760 1.8728 1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6534 1.1200 0.8844 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3372 0.8051 1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1607 1.1641 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 1.9908 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1945 1.2999 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 0.9252 -0.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 2.0828 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 1.8211 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 1.0242 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6876 -0.3572 1.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -1.4251 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9346 -1.8036 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -0.8029 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -1.3310 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -1.7564 0.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3771 -1.6953 1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 -2.3036 0.4658 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 -2.7402 1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -3.2767 1.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 -4.5405 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -5.5066 0.9525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 -6.9140 0.0124 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1011 -7.5054 0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7968 -6.6010 -1.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5859 -8.0450 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -8.4056 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -9.4042 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -9.8447 -0.5188 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4045 -8.7121 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2833 -10.9331 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2218 -2.3116 0.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4598 -1.9660 1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8439 -2.5535 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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 35 37 1 0 26 38 1 0 38 39 1 0 39 40 2 0 39 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 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 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 36105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 37110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 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