HMDB0008954 RDKit 3D PE(16:1(9Z)/14:1(9Z)) 111110 0 0 0 0 0 0 0 0999 V2000 11.4602 0.0933 3.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5365 0.9296 2.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 0.1867 1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8268 -0.4037 1.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 0.6701 1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 0.7534 2.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8229 -0.1992 3.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 -0.7838 3.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2884 -1.4345 2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 -2.1419 1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7761 -1.5022 1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 -0.9481 2.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 -0.3713 2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0856 0.6916 1.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 1.5476 1.7908 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5736 0.8268 0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 1.8630 -0.7285 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7982 2.4716 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0591 1.6553 -2.2538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 0.5345 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57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 17 71 1 1 18 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 23 76 1 0 23 77 1 0 24 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 30 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 41105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 M END