B7UBL9 -OEChem-04022105182D 55 55 0 1 0 0 0 0 0999 V2000 0.0000 5.4843 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 9.2969 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9846 3.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 7.6690 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.2758 5.1591 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9468 9.7036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 8.2036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 8.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 9.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 9.7383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 8.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 9.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4272 6.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2874 6.1591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 9.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 8.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4041 4.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 3.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0807 9.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 9.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1102 10.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 10.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 10.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5539 7.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 8.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9557 9.1184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5539 9.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8324 10.2173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0342 10.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8179 6.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2084 6.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8967 6.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5062 6.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 7.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6788 10.3236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 7.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7453 4.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3548 5.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1003 5.2097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8636 4.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 4.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5152 3.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9057 3.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9775 2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 7.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 7.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5709 11.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 11.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 9.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 5.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 54 1 0 0 0 0 2 55 1 0 0 0 0 3 24 1 0 0 0 0 3 27 1 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 23 2 0 0 0 0 8 23 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$