B7KZC5 -OEChem-04022100222D 56 58 0 0 0 0 0 0 0999 V2000 7.1962 0.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 2.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.7828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7918 1.5244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8785 2.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 3.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6853 3.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3978 0.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2094 0.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8340 3.2599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2788 2.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 1.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 3.0517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 2.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 -2.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 10 2 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 18 21 2 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 M END $$$$