HMDB0009161 RDKit 3D PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -8.9597 3.8670 -0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4605 3.6341 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6786 3.8214 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1425 2.9036 2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5246 1.5170 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6678 0.5968 2.3129 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8357 -0.2309 1.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6791 -0.3159 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2992 -0.0027 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4888 -0.7953 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9004 -2.1844 -1.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8519 -2.2827 -2.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5343 -2.1312 -3.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 -3.1346 -3.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 -3.5387 -1.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 -2.4728 -1.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0923 -1.8715 -2.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2914 -0.8267 -1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5864 -0.1182 -2.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2233 -0.5454 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4053 0.4868 0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 0.1543 0.2293 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4012 -1.1189 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 -0.8709 2.3617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6479 -2.2059 3.2875 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0048 -1.9423 3.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 -2.3780 4.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -3.6352 2.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8746 -4.3160 2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -5.5715 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6492 -6.3857 2.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 1.1443 0.7222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8412 1.7383 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 1.3397 -1.3705 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 2.7464 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 3.2533 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3868 2.3200 -1.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 1.4258 -1.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 0.3764 -0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2020 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4 2 0 4 5 1 0 5 6 1 0 6 7 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 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 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 0 21 82 1 0 22 83 1 6 23 84 1 0 23 85 1 0 27 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 51121 1 0 M END