HMDB0011257 RDKit 3D PC(P-18:0/22:1(13Z)) 151150 0 0 0 0 0 0 0 0999 V2000 -3.8226 3.1187 3.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2345 2.7067 4.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3723 2.4147 5.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5206 1.2953 6.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8763 -0.0200 5.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0663 -1.1526 5.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -1.1512 5.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 -1.1323 4.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.0181 3.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 0.7402 3.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 0.5350 3.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7927 1.8043 4.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 1.6584 4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 1.3350 3.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4953 1.2126 4.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 0.8668 3.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3401 -0.4502 2.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2796 -1.6026 3.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0837 -2.9338 2.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -3.0788 1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 -4.4979 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6528 -4.7878 0.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3251 -6.0169 0.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 -3.8836 -0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7495 -4.1929 -0.9055 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0214 -3.9913 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -4.2412 -3.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -4.1296 -4.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 -3.1803 -5.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -2.1239 -4.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1006 -0.8389 -5.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 0.3018 -4.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 0.9124 -3.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4094 1.6839 -3.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 1.2040 -3.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 0.1010 -2.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7784 -0.3328 -2.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -0.8805 -4.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5114 -1.2653 -4.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 -0.3274 -4.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9015 0.8494 -3.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0343 2.0461 -3.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 3.1755 -2.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4789 4.3206 -3.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 4.6925 -4.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4953 -3.5943 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6214 -3.8695 -1.1327 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 -3.2016 -0.5252 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1204 -3.4181 0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -4.0446 -1.2209 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2421 -1.5776 -0.9344 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -1.2346 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6686 0.2242 -1.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0285 0.7264 -1.4003 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6006 0.6279 -2.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9039 0.0667 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 2.1431 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 4.2190 3.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 2.8806 2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 2.5408 4.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 1.8911 3.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8817 3.5919 3.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4381 2.0907 5.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2248 3.3569 6.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 1.4812 6.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7796 1.1841 7.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9465 0.1672 4.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 -0.2741 5.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5146 -2.1477 5.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2967 -1.2304 6.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -0.3388 6.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -2.0919 6.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3175 -2.0543 3.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 -1.4752 4.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0846 0.2147 3.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.5769 2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -0.2849 4.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9229 0.4841 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 2.6163 3.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1498 2.0644 5.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 0.7523 5.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 2.5500 5.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 2.1223 2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8176 0.3167 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.4861 4.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 2.2054 4.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5520 1.6520 2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 0.8602 3.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5270 -0.4670 1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2899 -0.6289 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5513 -1.4150 4.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2730 -1.6570 3.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0247 -3.6803 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0127 -3.1841 2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.3320 1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9756 -3.0041 2.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 -4.6960 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8521 -5.2421 2.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 -5.3262 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3356 -2.9475 -2.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8724 -4.6285 -2.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 -4.8516 -5.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -3.1740 -6.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -2.0523 -3.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 -2.3871 -4.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -1.0604 -6.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -0.7236 -5.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 1.0418 -5.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 -0.0879 -4.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 1.5914 -3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 0.1020 -2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 2.0924 -2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 2.6939 -3.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 1.0183 -4.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 2.0583 -3.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6081 -0.6969 -2.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 0.5552 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4463 0.3500 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8281 -1.2574 -2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -1.7634 -4.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 -0.1880 -4.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 -1.9421 -5.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7888 -2.0849 -3.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5707 -0.0132 -5.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5725 -0.9742 -4.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9801 0.5350 -2.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 1.1906 -3.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2184 2.5139 -4.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 1.9486 -3.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4853 3.4580 -3.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3070 2.7620 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 3.9624 -2.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6565 5.1613 -2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 4.0650 -5.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6843 4.5710 -4.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2787 5.7513 -4.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 -3.8481 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -2.4704 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -1.8736 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0652 -1.4309 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0773 0.7980 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.2956 -2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 0.8128 -3.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3539 1.4239 -2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1216 -0.3292 -2.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 0.0262 0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8485 0.6439 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2211 -0.9481 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 2.7347 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 2.5372 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 2.2472 0.0529 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 1 0 8 9 1 0 9 10 2 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 42 43 1 0 43 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 28102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 55143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 57151 1 0 M CHG 2 50 -1 54 1 M END