HMDB0009278 RDKit 3D PE(20:1(11Z)/24:1(15Z)) 153152 0 0 0 0 0 0 0 0999 V2000 1.2475 7.3447 2.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0524 6.8075 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 6.2959 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 5.1848 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 4.0291 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 3.1944 0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 2.3581 -0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 2.9185 -2.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 3.6383 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 4.8317 -3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 5.6997 -3.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 6.1587 -4.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2687 5.1334 -5.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3023 4.2945 -4.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 5.1692 -3.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4475 4.6216 -3.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3119 3.6568 -1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 2.2590 -2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 1.6372 -3.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 0.2693 -3.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1554 -0.0148 -4.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 -1.4783 -4.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -2.1033 -5.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8086 -2.2086 -4.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -3.0836 -5.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 -1.5813 -3.8598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 -1.8456 -3.4453 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2892 -2.2519 -2.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6443 -3.4675 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 -3.8968 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4726 -3.1821 0.4346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -5.1268 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8925 -4.8906 1.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -6.2153 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -5.8335 2.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 -6.8896 3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -7.6231 4.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4041 -6.5935 5.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 -7.2384 6.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3841 -6.1108 6.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -5.1967 7.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 -3.9419 7.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1044 -3.4662 5.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 -2.3055 6.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -1.0386 6.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7817 -0.6980 5.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2266 -0.5714 4.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 -0.2460 3.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -0.1622 1.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8032 0.1570 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1029 -0.7268 -3.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 -1.1751 -3.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 -0.1202 -3.6709 P 0 0 0 0 0 5 0 0 0 0 0 0 4.7579 0.1498 -5.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 1.3509 -2.9022 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0889 -0.7252 -3.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 0.3330 -2.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2609 -0.2305 -2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8741 -1.1932 -3.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2194 7.6474 1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 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27 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 6 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 50142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 55147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 M END