B9C6TH -OEChem-04012116092D 40 40 0 1 0 0 0 0 0999 V2000 5.4641 0.4400 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 4.9641 1.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2741 1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -5.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 32 1 0 0 0 0 13 3 1 1 0 0 0 3 33 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 19 1 0 0 0 0 6 37 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 9 11 2 0 0 0 0 15 10 1 1 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 30 1 0 0 0 0 18 21 2 0 0 0 0 18 31 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 2 8 -1 11 1 M END $$$$