B8VQU9 -OEChem-04012118082D 47 50 0 1 0 0 0 0 0999 V2000 2.8660 1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 0.4453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 2.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 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 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2500 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 5.4641 0.2500 0.0000 C 0 0 1 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 3.7320 0.2500 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 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1636 1.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8007 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8007 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9780 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 17 2 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$