RDKit 3D 51 55 0 0 0 0 0 0 0 0999 V2000 4.8417 -2.8900 2.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 -2.1940 1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 -1.1812 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9696 -0.8835 1.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -1.5676 2.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 -2.5760 3.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 0.1974 1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 1.2342 2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 -0.0285 0.7509 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6187 -1.3070 -0.0299 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7895 -1.8729 0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8077 -0.7888 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2273 -0.8508 0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 -1.8946 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5339 -1.5967 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9671 -0.2804 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0535 0.7751 0.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6908 0.4596 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5852 1.2809 0.6459 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4436 0.5347 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0514 1.0924 0.5397 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2970 1.9384 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3045 2.9161 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6977 3.6860 -1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 3.4921 -2.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 2.5215 -3.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3116 1.7508 -1.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 2.3391 -4.3289 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7374 1.9279 -4.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 2.6868 -5.3462 O 0 0 0 0 0 1 0 0 0 0 0 0 0.9460 -1.2228 -1.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0939 -0.7679 -1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 -1.6322 -2.3522 O 0 0 0 0 0 1 0 0 0 0 0 0 5.5674 -3.6798 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5632 -2.4412 0.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 -0.6414 -0.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 -1.3110 3.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -3.1158 4.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3156 -2.0735 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7464 -2.3907 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.6170 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 -2.9199 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2588 -2.4023 0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0317 -0.0692 0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3920 1.7984 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6178 2.2877 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0022 1.7578 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 3.0547 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 4.4160 -1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4105 4.0817 -3.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 0.9674 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 28 30 1 0 10 31 1 0 31 32 2 0 31 33 1 0 6 1 1 0 21 9 1 0 20 12 2 0 18 13 1 0 27 22 1 0 1 34 1 0 2 35 1 0 3 36 1 0 5 37 1 0 6 38 1 0 10 39 1 1 11 40 1 0 11 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 19 46 1 0 21 47 1 1 23 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 M CHG 3 28 1 30 -1 33 -1 M END