HMDB0010603 RDKit 3D PG(18:0/18:1(11Z)) 134133 0 0 0 0 0 0 0 0999 V2000 13.6989 3.3970 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8356 4.6064 1.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4786 5.2146 1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5440 4.2191 1.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0121 3.7813 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9550 2.7746 3.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8832 1.6405 2.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8031 1.2711 2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5393 1.9706 2.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3422 1.3058 2.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7415 0.1601 2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5854 -1.0602 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 -2.1889 1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3285 -1.7823 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5086 -2.9064 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 -3.1457 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3992 -1.8795 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0668 -1.5115 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8201 -0.9910 -2.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7571 -1.7653 -1.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -1.4588 -2.9496 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1734 -0.5822 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9657 -1.1253 -2.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1455 -1.3103 -1.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 -0.9967 -0.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 -1.9198 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 -0.8853 -0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 -0.2397 -1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 0.7993 -2.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2322 0.5788 -1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6878 0.3387 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2007 0.1156 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9704 1.2720 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7463 2.5521 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1716 2.4292 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6419 2.0749 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0121 1.9921 2.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4650 1.6104 2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3639 2.5996 2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2731 3.9894 2.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6375 4.0312 4.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0557 3.5409 4.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 -2.8037 -3.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -2.5946 -4.9409 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 -4.1128 -5.6001 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7001 -4.0940 -7.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3932 -4.4592 -5.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -5.2735 -4.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -6.3483 -4.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0863 -7.4063 -3.7483 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1804 -7.8425 -4.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5403 -6.8053 -2.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 -6.3937 -1.7556 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7875 3.4907 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5637 3.4185 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6035 2.4432 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5188 5.3608 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 4.2925 2.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0541 5.5215 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5222 6.1107 1.9326 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5067 4.6277 1.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4807 3.2996 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9743 4.6495 3.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0052 3.3261 3.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0239 3.3142 3.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3452 2.4559 4.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8075 1.0416 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9653 0.3979 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2974 2.2273 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 3.0395 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6226 0.9392 3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 2.0642 2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 -0.0843 2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4965 0.5093 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 -1.3668 2.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3444 -0.9064 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2866 -3.1261 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7973 -2.2890 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 -0.8521 -0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2508 -1.5970 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3764 -2.6724 -1.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1124 -3.8633 -0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -3.8931 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -3.5223 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -1.0647 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 -2.1799 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 -0.9921 -3.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.4239 -4.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 0.4310 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 -2.7224 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 -2.4038 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4446 -1.5748 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 -0.2107 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 -1.0167 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7906 0.2318 -2.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 1.1031 -3.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 1.7965 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7334 1.5573 -2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5814 -0.2290 -2.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4478 1.2642 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2593 -0.4912 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4944 -0.8244 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4526 0.0115 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0548 1.0418 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7808 1.4608 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3221 3.3591 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6800 2.8613 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5165 1.7492 1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0570 3.4327 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8941 1.0986 0.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1825 2.8741 0.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8009 2.9394 3.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4289 1.2158 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5934 0.6444 2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7771 1.3556 3.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4223 2.2604 2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1379 2.6323 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3092 4.4954 2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0580 4.5949 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9675 3.3552 4.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5304 5.0425 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1290 2.4282 4.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4629 3.9010 5.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6786 4.0101 3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.3219 -3.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9638 -3.3947 -3.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5884 -5.0938 -6.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 -6.0187 -3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 -6.7383 -5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3666 -8.2411 -3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -8.3055 -5.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 -7.5720 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 -5.9048 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 -7.1634 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 6 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 47127 1 0 49128 1 0 49129 1 0 50130 1 1 51131 1 0 52132 1 0 52133 1 0 53134 1 0 M END