HMDB0011215 RDKit 3D PC(P-16:0/20:0) 141140 0 0 0 0 0 0 0 0999 V2000 -4.3672 4.1062 -4.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 2.8102 -5.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 1.6307 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 0.9086 -3.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4439 1.4949 -2.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 2.3723 -1.8681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3799 2.9191 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6245 3.7909 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4923 3.0800 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8096 4.0986 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 3.5974 2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3359 2.6343 3.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 2.1570 4.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2388 1.3751 4.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 2.0042 3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 1.3503 2.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 0.0196 2.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -0.4447 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -1.9471 1.0994 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4617 -2.4251 2.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -2.1741 3.4378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 -2.6785 4.7423 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3861 -4.0686 4.5324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -1.6169 4.9705 O 0 0 0 0 0 1 0 0 0 0 0 0 0.0993 -2.7008 6.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4418 -2.4102 5.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 -2.4075 7.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -2.0950 6.5747 N 0 0 0 0 0 4 0 0 0 0 0 0 4.0783 -3.1277 5.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -0.8470 5.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -2.1465 7.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7323 -2.5880 1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2018 -3.3152 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 -3.3750 -0.9229 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5069 -4.0242 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 -4.3988 -1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -3.1061 -1.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -3.2391 -3.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 -1.8363 -4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 -1.0088 -3.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 0.3935 -3.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 1.1148 -3.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 2.5087 -4.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5028 3.4339 -3.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 3.0965 -4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4386 1.9198 -3.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 1.8681 -4.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7294 0.6886 -4.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -0.6280 -4.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9698 -1.7449 -4.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 -1.7163 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -2.8967 -2.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6801 -2.8929 -0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 4.8722 -5.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3236 4.0259 -4.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5473 4.5806 -4.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8743 2.6480 -5.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 3.0060 -6.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8474 1.8696 -5.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4067 0.8403 -5.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 0.2062 -3.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7453 0.0665 -4.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4032 2.0745 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8414 0.6978 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1230 3.2132 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 1.7864 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8373 2.0925 -0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2282 3.4927 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 4.1560 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 4.7087 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 2.7210 0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8937 2.2819 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 4.6675 2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 4.8794 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 4.4369 3.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 3.0947 2.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1876 3.1896 4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7738 1.7777 3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 1.5186 5.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0901 3.0551 5.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 1.0136 5.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 0.4012 3.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 3.0756 3.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0457 1.9345 2.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 -0.0612 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.0137 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -2.1654 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 -1.8181 2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -3.4822 2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7165 -3.1772 5.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5019 -1.4100 5.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3788 -3.4312 7.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0086 -1.7281 7.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1934 -3.2030 5.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6859 -4.0735 5.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -2.9164 4.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 -1.0262 4.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8114 -0.5381 5.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 -0.0515 6.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4176 -2.9888 7.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 -1.2224 7.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -2.2515 8.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2636 -3.2884 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 -4.8875 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 -4.8999 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2616 -5.1031 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -2.4363 -1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -2.5621 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 -3.8291 -3.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 -3.7404 -3.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9262 -1.9926 -5.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 -1.4041 -3.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 -0.8992 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -1.5144 -3.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 0.9312 -3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 0.3393 -4.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 0.4866 -4.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2911 1.0211 -2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 3.0271 -3.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 2.4789 -5.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 4.4185 -4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 3.7934 -2.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2016 2.9935 -5.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 3.9898 -4.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 2.2049 -2.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 0.9799 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 2.7899 -4.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3436 1.8825 -5.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 0.6877 -4.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 0.7505 -3.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -0.7628 -5.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9298 -0.7500 -4.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.6869 -4.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5544 -2.7454 -4.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -1.7564 -2.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9139 -0.8124 -2.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 -2.7861 -3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7979 -3.8312 -2.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7007 -3.3457 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0005 -3.5137 -0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -1.8503 -0.6048 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 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 45 46 1 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 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 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 18 85 1 0 18 86 1 0 19 87 1 6 20 88 1 0 20 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 31102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 53141 1 0 M CHG 2 24 -1 28 1 M END