BAOC74 -OEChem-04022102482D 47 50 0 1 0 0 0 0 0999 V2000 7.9184 3.7402 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.8742 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 2.3462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -3.3742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.3947 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 2.9758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 1.5727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 3.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 2.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 3.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 -3.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 0.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 2.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 3.2289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 0.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.2608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 -1.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 4.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7771 1.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -1.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 -4.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -4.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2988 -3.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 25 1 0 0 0 0 2 29 1 0 0 0 0 3 8 1 0 0 0 0 3 34 1 0 0 0 0 4 12 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 17 35 1 0 0 0 0 18 24 2 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 26 1 0 0 0 0 21 39 1 0 0 0 0 22 27 2 0 0 0 0 22 40 1 0 0 0 0 23 28 2 0 0 0 0 23 41 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M END $$$$