BJ2GT6 -OEChem-04022103453D 45 48 0 1 0 0 0 0 0999 V2000 -5.3247 3.5133 0.5158 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 -4.3034 1.2840 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7423 -1.5224 1.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6921 -1.5561 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7213 -0.5414 0.8498 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5418 -0.7032 0.3596 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 -4.5778 -1.1315 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -5.2574 -0.0013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 0.8011 1.3840 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4215 1.4436 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 0.3955 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 1.5689 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5954 0.6083 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 -1.5897 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7553 1.8363 -0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1638 2.0091 1.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7001 2.5440 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 2.7167 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8768 2.9843 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -0.3745 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 1.8107 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -2.8825 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 -0.1547 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5474 2.0306 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 3.7400 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 -3.2416 -0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2414 1.0478 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 -2.3455 -2.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 0.6919 2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 2.4229 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 1.5173 2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 1.4996 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 1.8075 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 2.7437 -2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0226 3.0525 0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 2.5898 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1647 -0.9115 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4414 4.4431 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 4.3282 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 3.0466 -2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2727 1.2052 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3253 -2.1089 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0769 -2.8764 -3.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -1.9880 -2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 -1.4779 -2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 14 2 0 0 0 0 4 20 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 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 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 27 41 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M END $$$$