B6T1OS -OEChem-04022102173D 31 31 0 1 0 0 0 0 0999 V2000 -3.0478 0.5942 -0.2843 P 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -0.5674 -0.9231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 1.8005 -0.2996 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2315 1.1941 0.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4801 0.1252 -1.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -0.3004 0.1189 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 -1.6599 0.7934 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.0761 -0.4328 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8134 0.6546 0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -0.9209 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 1.0303 0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 -0.1106 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9992 -1.2677 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2726 -0.6482 0.7435 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2177 0.8862 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -0.1062 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 1.5039 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 -1.7702 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -1.3302 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3215 1.9736 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 1.1422 1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5712 0.1903 -0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 -0.9500 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 -1.6497 -0.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 -2.1179 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 0.4834 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 -0.2537 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1444 -1.2778 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0159 -2.4476 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 2.5968 -0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8224 1.8824 0.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 27 1 0 0 0 0 M END $$$$