B37LJS -OEChem-04022103162D 42 45 0 0 0 0 0 0 0999 V2000 4.5981 2.6276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -4.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -3.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 -1.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 -1.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -2.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 29 1 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$