HMDB0113205 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/20:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 -12.8564 6.2191 0.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6470 4.9252 0.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0051 4.1112 1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5784 3.7834 1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4809 3.0007 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2826 1.7739 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8203 0.5751 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3906 0.2563 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9749 -0.5627 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5634 -1.7934 1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4544 -2.5269 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0922 -3.0244 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3657 -2.6677 -1.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -1.7445 -2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -0.5893 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6935 0.0920 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7218 1.1982 -1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 0.8445 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3642 1.5992 -0.8462 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 -0.3019 -1.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6955 -0.8584 -2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8827 -1.2037 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -2.1834 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8174 -2.3448 1.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 -3.3828 2.2537 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7485 -3.0460 3.5754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0893 -3.2389 2.4841 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -4.9911 1.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 -4.9986 1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3008 -6.4036 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 -6.9817 0.0765 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -7.1723 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 -1.8380 -1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5723 -1.4681 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.5078 0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 -2.2628 -1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 -1.8654 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3993 -0.4566 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6383 -0.3000 0.4572 C 0 0 0 0 0 0 0 0 0 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39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 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 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END