RDKit 3D 50 55 0 0 0 0 0 0 0 0999 V2000 -4.6190 -2.4324 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 -1.7788 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -0.5321 0.0312 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9461 0.4454 0.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 -0.8213 1.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9462 -0.1728 1.3165 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2580 0.9363 0.2780 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0272 1.6443 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 2.9988 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 3.6087 -0.7647 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1559 3.7021 -0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1395 5.0180 -1.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1341 1.0566 0.2087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 1.4718 0.6587 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 0.3156 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4786 0.1877 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 -1.0697 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2655 -2.2175 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 -2.0399 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 -0.8118 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 -0.4068 -0.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2839 -0.6136 -1.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -1.2886 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8735 -1.1654 -0.7285 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0388 -1.0401 0.4760 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7581 -0.0354 -0.7631 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6284 -2.2986 1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 -2.0283 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6089 -3.5088 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 -1.4923 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6142 -2.5101 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0414 0.8535 -0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 -1.9064 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9453 -0.3145 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5508 0.1974 2.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0735 1.5820 0.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 5.4832 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 5.6399 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 4.9774 -2.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.4891 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 1.0795 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 -1.1852 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 -3.1907 1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4559 -2.9740 0.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 -1.1880 -1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 0.3446 -2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -2.3860 -1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -0.9644 -2.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 -2.0313 0.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 0.3728 -1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 1 3 5 1 0 5 6 1 0 6 7 1 0 7 26 1 0 26 24 1 0 24 23 1 0 23 22 1 0 21 22 1 6 21 25 1 0 21 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 13 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 26 3 1 0 25 24 1 0 20 15 1 0 25 6 1 0 8 7 1 0 20 21 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 1 7 36 1 1 26 50 1 6 23 47 1 0 23 48 1 0 22 45 1 0 22 46 1 0 25 49 1 1 14 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 12 37 1 0 12 38 1 0 12 39 1 0 M END