BD76JC -OEChem-04022104373D 36 35 0 0 0 0 0 0 0999 V2000 -4.2219 -1.5095 -0.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 0.0920 1.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0739 0.4119 -0.7653 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -1.1712 -0.2732 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 0.9575 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 0.2371 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1438 0.9915 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5622 0.2318 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 1.6861 0.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 -0.5152 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 1.7253 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 -0.4867 0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9371 -0.2984 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1101 -2.3520 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 1.9827 0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 0.4503 1.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 -0.7946 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 0.7292 -1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 -0.0358 -0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0387 1.5167 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 1.2641 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -0.2423 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 2.7132 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4434 1.1680 1.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8096 -0.0688 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 -1.5565 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4325 2.2499 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3391 2.2685 0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3211 0.5513 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9011 -0.9585 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 -0.0252 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9197 -1.1815 0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 -2.1461 -0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2490 -3.2790 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0823 -1.8645 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6752 -2.5942 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 31 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 M END $$$$