B78EMP -OEChem-04012116042D 36 37 0 0 0 0 0 0 0999 V2000 5.4641 -1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 17 2 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 3 33 1 0 0 0 0 4 15 2 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 16 2 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 19 34 1 0 0 0 0 M END $$$$