BWIE23 -OEChem-04012117312D 51 53 0 1 0 0 0 0 0999 V2000 8.9446 3.2673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2327 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 1.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8622 0.7119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.8019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7932 -2.3118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6765 -0.8219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8047 -1.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.8042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -2.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2527 -2.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 -1.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 20 2 0 0 0 0 12 7 1 1 0 0 0 7 13 1 0 0 0 0 8 25 2 0 0 0 0 8 30 1 0 0 0 0 9 25 1 0 0 0 0 9 31 2 0 0 0 0 10 31 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 31 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 22 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 26 30 2 0 0 0 0 27 29 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 46 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$