HMDB0011581 RDKit 3D MG(22:0/0:0/0:0) 79 78 0 0 0 0 0 0 0 0999 V2000 -10.2033 1.1240 -1.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0968 2.0494 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2882 2.5330 -0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 1.3697 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7808 0.5968 -0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1865 -0.5753 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 -0.0979 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 -1.3026 2.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8935 -2.0618 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 -1.1370 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8406 -1.8561 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2093 -3.0345 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -2.6176 1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 -1.6367 1.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4306 -1.2536 2.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5187 -0.2922 2.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 -0.4942 1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6079 -0.5791 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0743 -0.7462 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -0.8336 -1.9855 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2543 -0.9992 -2.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 0.1010 -2.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 0.0167 -3.0802 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 1.1921 -1.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8175 2.2686 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1129 1.9610 -0.7476 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9535 1.1231 -1.4268 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 3.3111 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8575 4.0792 0.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8712 0.0653 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0866 1.1933 -1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5616 1.3938 -0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6330 2.9291 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4839 1.5593 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9567 3.0542 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5046 3.2342 -0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4450 0.7256 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0528 1.7643 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2850 0.2326 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8929 1.2357 -0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5742 -1.1240 -0.6135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9938 -1.2449 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 0.6809 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1076 0.3236 2.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2191 -1.0266 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 -1.9457 2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -2.5153 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4815 -2.9147 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -0.6697 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -0.3325 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 -1.1580 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 -2.1619 -1.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9398 -3.8517 0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5037 -3.5087 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.0728 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -3.4457 2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2247 -0.7146 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.2081 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 -2.2036 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 -0.8433 3.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 -0.0864 3.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 0.7321 2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 0.4092 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -1.3340 1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 0.4111 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0048 -1.3671 -0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5755 0.1779 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -1.6541 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -1.7578 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 0.0073 -2.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6923 -1.9935 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0228 -1.0099 -3.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9853 2.9027 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 2.9409 -0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8724 1.4916 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7972 1.0656 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9389 3.7723 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7355 3.1689 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7499 3.6679 1.1077 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 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 26 28 1 0 28 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 17 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 25 73 1 0 25 74 1 0 26 75 1 1 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 M END