B91ESQ -OEChem-04022116333D 35 38 0 0 0 0 0 0 0999 V2000 2.8731 -2.3858 1.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5063 1.4720 0.0827 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 3.6484 0.5806 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 1.2992 0.3979 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7262 -2.6284 -0.3331 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 -3.2865 -0.6414 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -2.8957 0.5601 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 1.8698 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 2.5743 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 1.0099 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1365 0.2562 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 0.1930 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7728 3.2139 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 -0.1048 0.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6602 2.4422 0.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1838 -1.0910 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6863 1.2932 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2615 -0.9366 0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7559 0.4616 -1.7927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0434 -0.6534 -1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5341 -1.3104 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -2.3422 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 -2.0989 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5188 -0.5861 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 3.8962 0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 -0.3172 1.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 3.3277 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 2.1561 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3636 0.6827 -2.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -1.2540 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -0.6685 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6327 -2.6215 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5984 -3.1424 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8658 -3.7169 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2476 -2.7390 -0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 33 1 0 0 0 0 6 22 2 0 0 0 0 7 23 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M END $$$$