HMDB0060037 RDKit 3D 10-HDoHE 57 56 0 0 0 0 0 0 0 0999 V2000 -9.1468 1.4743 0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6656 1.2770 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2279 -0.0940 0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7392 -0.8985 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5586 -0.6003 -1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 -0.5516 -2.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1186 -0.6988 -1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 -0.9530 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8454 0.1852 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 0.0228 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -1.2909 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1868 -1.4572 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0651 -0.3977 1.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 0.5095 2.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.3792 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 1.4305 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9094 1.4209 0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6786 0.4612 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6985 -0.1382 0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9618 -0.0353 0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5398 0.6613 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3629 -0.3106 -1.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4707 -0.8584 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1899 -1.7978 -1.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8257 -0.4504 0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4857 0.6479 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3021 2.4845 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7267 1.4784 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3822 1.6368 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1038 1.9607 1.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3131 -0.4687 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4924 -1.9237 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1504 -1.4653 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2131 0.2963 -1.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3412 -0.3556 -3.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2445 -0.6317 -2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2092 -1.8991 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 -0.9668 0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2591 1.2089 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 0.9578 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6295 -2.1904 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 -2.5146 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 -0.8794 2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 0.1433 3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2789 -0.2153 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 0.9172 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1756 2.2398 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5228 2.2394 1.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1202 -0.4184 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 0.9375 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3373 -0.6886 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6414 -0.5069 1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 1.2865 -1.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3256 1.3922 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6755 -1.1065 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7767 0.1663 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2127 -1.0518 1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END