HMDB0072609 RDKit 3D TG(10:0/10:0/a-21:0)[rac] 134133 0 0 0 0 0 0 0 0999 V2000 -2.7088 -5.7442 -3.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 -5.2091 -3.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 -6.2404 -2.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3883 -7.4340 -3.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 -7.0388 -4.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -6.3962 -3.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -6.0082 -4.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1089 -5.3693 -4.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 -4.1041 -3.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0915 -3.4667 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2398 -3.9059 -3.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0879 -2.3265 -1.9794 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -1.7134 -1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9671 -0.5219 -0.7208 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2465 0.2259 -0.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0483 1.3356 0.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5302 1.3551 1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 0.2698 2.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4258 2.6507 2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0395 3.0951 2.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 2.1310 3.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 2.6731 3.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1259 1.7067 4.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 2.1909 4.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 3.4863 5.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5678 4.0983 5.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 4.5734 4.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 3.5880 3.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 4.2861 3.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7618 3.2800 2.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 2.6742 1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 1.6629 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 2.2369 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 3.3237 -1.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 2.8632 -2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4924 4.0395 -3.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 1.7777 -3.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2426 1.3899 -4.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 0.3790 -1.3856 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9182 0.7889 -0.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7199 0.3137 0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 1.6811 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 2.1538 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0245 1.1462 0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 0.1747 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -0.7296 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 -1.7877 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9806 -2.6042 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 -3.6963 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -4.4424 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -6.8184 -3.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 -5.5001 -5.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -5.2328 -3.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 -4.7654 -3.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 -4.3589 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 -6.5834 -1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1172 -5.7661 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -8.1527 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -7.9235 -3.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 -6.4289 -4.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0419 -7.9891 -4.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3038 -7.1433 -2.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -5.5223 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 -5.4003 -5.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -6.9499 -5.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -6.0897 -3.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 -5.2286 -4.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -4.3043 -2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 -3.4052 -3.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 -1.4792 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 -2.4477 -0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -0.8494 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 0.4707 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9554 -0.4610 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9813 3.4588 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9221 2.5509 3.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0729 4.0674 3.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 3.3176 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7721 2.0832 4.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 1.1323 3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 2.8010 2.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 3.6653 4.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 0.7607 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 1.5412 5.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 2.0568 3.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 1.4145 5.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 3.3692 6.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 4.2775 4.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3084 5.0133 6.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 3.3543 6.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 5.3804 4.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 5.2152 5.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2934 3.4040 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 2.6894 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 5.1181 2.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 4.7192 3.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2361 2.4808 2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5284 3.8331 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1759 3.4298 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0471 2.0638 1.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 1.1526 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8852 0.9024 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2615 2.6554 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8936 1.4271 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 4.2241 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8409 3.6292 -2.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0098 2.4481 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 3.9298 -4.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 5.0106 -2.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3732 4.1611 -3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.9069 -2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1819 2.2467 -3.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 2.1404 -5.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 1.3212 -3.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 0.3969 -4.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 2.5764 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 1.2156 -2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 2.8257 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 2.7787 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 1.7213 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 0.6330 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 0.6789 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -0.5068 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -1.2231 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1092 -0.1392 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 -2.4352 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0975 -1.3608 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -3.0768 1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5691 -1.9030 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 -4.4328 -0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5672 -3.2334 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0166 -3.7706 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 -5.2062 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -4.9677 1.9813 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 2 0 10 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 35 37 1 0 37 38 1 0 14 39 1 0 39 40 1 0 40 41 2 0 40 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 13 70 1 0 13 71 1 0 14 72 1 1 15 73 1 0 15 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 38115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 50134 1 0 M END