B1WQG5 -OEChem-04012115552D 30 31 0 0 0 0 0 0 0999 V2000 3.7320 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 14 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 24 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 2 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 19 2 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$