B1XH2D -OEChem-04022110242D 40 42 0 0 0 0 0 0 0999 V2000 6.4417 4.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.9712 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5233 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -0.4300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.3131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 2.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 2.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 3.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 3.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 3.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.9156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.8333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -1.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -2.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4600 -1.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0171 2.8369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 1.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 4.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$