HMDB0259835 RDKit 3D VIQUALINE 49 51 0 0 0 0 0 0 0 0999 V2000 -3.1491 0.8913 2.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5599 0.0466 1.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 0.2559 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3728 0.4761 -0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5982 -0.6191 -1.6407 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6282 -1.8841 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2616 -2.1643 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 -0.9066 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -1.2434 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 -0.1231 0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 0.2751 -0.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 1.3613 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9115 2.6744 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8382 3.6636 -0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 3.3634 -0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 2.1067 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 1.8260 0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2189 0.5188 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -0.5280 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -1.8636 0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1024 -2.1006 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -0.2364 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 1.0685 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 1.7350 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4351 0.7468 3.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1903 -0.7947 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.1696 0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 1.3959 -1.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 0.5448 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -0.6723 -2.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3314 -1.8270 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -2.6728 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2852 -2.5544 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7206 -2.9345 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.6809 -1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 -2.1114 -0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4493 -1.5216 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 -0.4678 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5667 0.7655 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6985 -0.6205 -1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5684 0.6842 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1143 2.8367 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 4.7013 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 2.6694 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2393 0.3073 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8185 -1.5567 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2716 -1.7708 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3053 -3.1929 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 -1.0365 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 2 0 8 3 1 0 23 12 1 0 23 16 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 17 44 1 0 18 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 M END