B4CWO6 -OEChem-04022101142D 46 49 0 1 0 0 0 0 0999 V2000 5.6783 1.5368 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.7321 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6783 -0.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 -0.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 1.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 1.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.2321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9631 -0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -1.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1793 1.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 -0.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 -0.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3445 1.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3819 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1419 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5719 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -3.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 19 1 6 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 M END $$$$