HMDB0030861 RDKit 3D Kuwanon D 57 62 0 0 0 0 0 0 0 0999 V2000 -4.8799 0.9535 -1.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 0.0954 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9754 -1.0196 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7845 -1.1085 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0587 0.1042 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 0.9210 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 0.9403 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3172 0.5643 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 0.8924 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0036 0.5630 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 0.9032 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 1.6988 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 1.7893 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 2.8396 0.5683 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9086 0.5240 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 0.3305 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6270 1.3607 1.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 -0.9069 1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.9118 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8281 -3.1542 0.2698 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9934 -1.7534 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3631 -0.5113 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -0.2824 -0.9487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6196 -0.1244 -2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5256 -0.4995 -3.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -0.4558 -2.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -0.1230 -1.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0204 -0.4580 -1.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 -0.0356 1.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2576 0.4702 3.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 -1.4172 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 1.2932 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 1.8482 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7125 0.3928 -2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7207 -1.9943 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0340 -0.8185 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7959 -1.1046 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 -2.0638 1.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5951 0.7070 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2225 1.9120 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 1.9402 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 1.4328 0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7276 1.5107 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 2.6853 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2843 1.1061 1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3452 2.2696 2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -1.0407 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4140 -3.8849 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 -2.5337 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5045 -0.3144 -3.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0189 -0.9942 -3.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 1.4998 3.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 0.4223 3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -0.2226 3.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -1.3585 1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 -1.7751 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5216 -2.1033 2.3068 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 10 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 7 29 1 0 29 30 1 0 29 31 1 0 6 2 1 0 27 8 1 0 28 2 1 0 29 5 1 0 23 11 1 0 22 15 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 9 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 21 49 1 0 25 50 1 0 26 51 1 0 30 52 1 0 30 53 1 0 30 54 1 0 31 55 1 0 31 56 1 0 31 57 1 0 M END