B2H1AZ -OEChem-04012116072D 42 45 0 0 0 0 0 0 0999 V2000 8.1777 0.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3686 1.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3468 1.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8468 0.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4540 0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0555 -0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 1.9694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 2.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 0.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 14 2 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 24 2 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$