HMDB0011382 RDKit 3D PE(P-18:0/20:2(11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -2.3412 -10.3601 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6176 -9.7067 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -8.6473 0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6879 -8.0660 1.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5604 -6.9792 2.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6939 -5.8965 1.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -4.6650 1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4596 -4.1549 1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0402 -3.5907 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4116 -2.3663 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3069 -1.3244 1.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3591 -0.2180 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2292 0.8898 1.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 1.8758 1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0318 3.0049 2.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 4.0218 1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 3.3568 1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 4.2699 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9781 4.7825 -0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 5.6567 -1.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0661 6.8853 -0.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 5.0738 -1.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 5.8356 -2.4675 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9336 5.7881 -3.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 4.5008 -4.4968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9419 4.3184 -5.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 3.1479 -6.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 1.8729 -5.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 1.9547 -4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 0.5592 -3.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 0.5756 -2.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 1.2775 -1.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1658 0.7582 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0851 -0.6302 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 -0.7317 0.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -2.0444 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -3.2077 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 -3.2051 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -3.1249 1.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -3.1619 1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -4.4565 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2371 -4.4103 1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8526 -3.2940 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4318 5.4330 -2.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5652 5.6010 -0.6279 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1356 5.1413 -0.1598 P 0 0 0 0 0 5 0 0 0 0 0 0 6.1513 5.7384 -1.1157 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2062 3.4614 -0.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4367 5.6046 1.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4881 4.5380 2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 5.1106 3.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0280 5.8021 3.6197 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9812 -9.8883 -1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -10.2518 -0.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 -11.4320 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3442 -10.4575 0.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1277 -9.2650 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8133 -9.1125 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7194 -7.8795 0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 -7.5929 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3073 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2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 26 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 48128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 M END