B3REA8 -OEChem-04022107283D 39 39 0 1 0 0 0 0 0999 V2000 0.0343 2.0934 -0.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 0.2655 0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 0.5571 -1.9768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 1.0574 1.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -1.1740 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1493 0.0138 -0.6813 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3300 -0.0463 0.3104 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3191 0.9756 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -1.9555 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8477 -0.4460 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9697 -1.2752 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 0.8899 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 -1.0221 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9204 1.3332 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5352 -1.2667 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 2.1073 1.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 0.7246 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 -1.3229 1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -1.5923 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.9980 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -0.4464 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 1.4423 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 1.5714 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -2.9113 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 -2.2230 -1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8396 -0.3595 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -0.9569 1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -2.0605 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -0.6483 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -0.6527 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9475 -1.9870 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 1.7929 -0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 2.0169 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 1.2623 1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 0.5330 -2.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.0290 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 -1.5733 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -2.0649 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1539 -0.3758 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 9 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$