BW1MT3 -OEChem-04022100212D 52 54 0 0 0 0 0 0 0999 V2000 6.2619 0.7982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 2.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 0.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0066 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -2.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -0.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 3.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -1.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 -1.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -0.6651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.2135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 -3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -2.3599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 2.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -2.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -3.8103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 3.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4519 3.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 3.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -1.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4519 -2.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 -2.1099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 2.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 1.9742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 25 1 0 0 0 0 6 29 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 9 15 2 0 0 0 0 9 26 1 0 0 0 0 10 19 1 0 0 0 0 10 26 2 0 0 0 0 11 19 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 17 22 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 26 41 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$