B4ZGN5 -OEChem-04022109132D 55 58 0 0 0 0 0 0 0999 V2000 7.2764 2.0032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 -0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.3325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.3938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0624 -1.6162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 1.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1964 -2.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 -1.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9009 -3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1783 -3.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 0.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 2.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 2.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 2.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -0.2044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 0.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2523 0.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6582 -2.8586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8468 -1.5760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5364 -4.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4024 -4.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2653 -3.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9261 -2.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6119 -3.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4305 -4.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 37 1 0 0 0 0 5 8 2 0 0 0 0 5 13 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 40 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 M END $$$$