B4QAO5 -OEChem-04022100592D 43 45 0 1 0 0 0 0 0999 V2000 2.3660 1.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5347 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7576 1.6334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 0.5531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2358 2.2916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 1.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6531 2.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7358 1.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 3.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3545 1.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 0.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7234 0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5031 0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 1.4606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 1.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1162 2.9380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9880 0.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6956 3.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 15 2 0 0 0 0 6 19 2 0 0 0 0 7 21 2 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$