BVTZ25 -OEChem-04012114343D 40 42 0 0 0 0 0 0 0999 V2000 5.9172 1.6309 1.1103 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -0.9243 -2.8853 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -0.3294 1.9604 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 0.0842 1.2115 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 1.5316 0.3395 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 0.9172 0.2279 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 2.8559 -1.1945 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 3.7581 -1.5244 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2539 -1.0694 2.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 -2.4356 1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -2.5019 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 0.9350 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 0.4830 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 1.8247 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 -3.8385 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 2.8134 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.0712 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 1.9190 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 -4.1031 -0.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -0.5443 -0.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 0.6018 1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 0.8015 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 -0.3445 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 0.3283 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 -4.3223 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 -1.0235 2.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3204 -0.8573 2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 -2.6600 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5203 -3.2052 1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2091 -1.7047 -0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7158 -2.3377 -0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 -3.8323 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 -4.6500 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1751 1.9829 -0.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 3.7283 -1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 4.4667 -2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -1.0732 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 0.9723 2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 0.4845 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 -4.5133 -1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 13 2 0 0 0 0 5 14 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 18 2 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 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 12 14 1 0 0 0 0 14 16 2 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 34 1 0 0 0 0 19 25 3 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$