HMDB0113567 RDKit 3D PE-NMe(22:2(13Z,16Z)/16:1(9Z)) 136135 0 0 0 0 0 0 0 0999 V2000 16.7377 0.0573 3.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4729 0.9960 2.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1204 1.6826 2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1064 0.5456 2.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6931 1.0658 2.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7567 -0.0572 3.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7855 -0.1883 2.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 0.7707 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5954 0.0107 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6276 -0.0427 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3412 0.6128 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1841 -0.3481 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0613 -1.3160 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9118 -0.9889 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -0.2803 2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4842 1.1248 2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 1.6948 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 0.9484 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 1.0372 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6055 0.2460 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2045 0.7302 -0.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0693 -0.1295 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.3554 -2.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7837 -0.6053 -0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 -1.3895 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.7917 -1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 -0.4614 -2.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2100 -0.1732 -3.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8608 0.1825 -4.9188 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0542 0.8317 -5.5619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5744 1.3056 -4.9959 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3933 -1.2311 -5.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -0.8486 -7.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -2.1022 -7.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7171 -3.0295 -7.8009 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3273 -4.2382 -8.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5506 0.3229 -0.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 0.3108 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 -0.7405 0.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1720 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29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 26 37 1 0 37 38 1 0 38 39 2 0 38 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 1 0 46 47 1 0 47 48 2 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 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 31 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 36106 1 0 36107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 54136 1 0 M END