HMDB0036609 RDKit 3D Rothindin 52 56 0 0 0 0 0 0 0 0999 V2000 3.3972 -0.7039 -1.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -0.2402 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7961 0.1722 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 0.0999 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 0.4982 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2900 0.4223 -0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 -0.0592 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3563 -0.4634 1.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 -0.3801 1.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 -0.8941 2.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5565 -0.3902 1.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 -0.2531 0.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 0.6749 1.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9087 0.7559 1.6933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 0.3711 0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 0.4809 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 0.0769 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 0.1864 0.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 -0.1599 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -1.1398 -0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6822 -1.2154 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3243 -2.0140 0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7010 -2.0483 0.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4444 0.0283 -0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8214 0.1775 -1.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 1.2507 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2078 1.2728 1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3568 1.0899 -1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7511 1.0531 -2.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -0.4281 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6863 -0.5454 -1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5647 -0.1418 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 0.8721 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 0.7271 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5216 -0.7145 2.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3856 -1.0761 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 0.6261 2.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 1.0279 2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7186 0.8859 1.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2114 -0.5710 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -1.8692 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9634 -3.0477 0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1626 -1.5330 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2289 -1.5345 1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3673 0.0164 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4336 -0.5691 -2.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1515 2.1450 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4327 1.9191 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6938 1.9658 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 1.3797 -2.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 -0.7724 -1.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1023 -0.9475 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 3 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 17 30 2 0 30 31 1 0 31 32 2 0 32 2 1 0 9 4 1 0 32 15 1 0 12 7 1 0 28 19 1 0 5 33 1 0 6 34 1 0 9 35 1 0 11 36 1 0 11 37 1 0 13 38 1 0 16 39 1 0 19 40 1 0 21 41 1 0 22 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 30 51 1 0 31 52 1 0 M END