BW05NT -OEChem-04022101553D 53 58 0 0 0 0 0 0 0999 V2000 -4.7382 3.6695 -1.0540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 -2.5657 -1.8702 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -1.5200 0.9348 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 2.4155 2.3627 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9539 -0.1783 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1457 0.0044 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8711 -2.2146 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 -1.2760 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 0.8685 1.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 -2.1251 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1054 1.3891 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 1.2926 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -3.5880 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 1.5190 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9305 -1.7279 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7144 2.3576 1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -2.2358 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -4.0128 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -3.0989 -0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 1.1286 -0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3102 1.8070 -1.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 2.0272 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 3.0815 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7591 -1.6490 1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 -2.9244 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.8449 -1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 2.8057 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 3.0562 -1.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9388 3.2763 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 3.7908 -1.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -1.7510 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6291 -3.0266 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -2.4399 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5358 -1.5264 2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0564 -3.1184 1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4616 -4.3129 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6982 1.4274 3.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6298 -1.0288 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 3.0307 3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 -5.0732 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 -3.4533 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 0.3840 -1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6765 1.2472 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 1.6407 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 3.8277 1.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8247 -1.1095 2.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5766 -3.3972 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 1.6360 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 3.4569 -2.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5728 3.8484 0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9814 4.7635 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8199 -1.2874 0.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -3.5676 -2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 15 2 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 17 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 16 2 0 0 0 0 11 20 1 0 0 0 0 12 21 2 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 23 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 26 2 0 0 0 0 20 42 1 0 0 0 0 21 28 1 0 0 0 0 21 43 1 0 0 0 0 22 29 2 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 31 1 0 0 0 0 24 46 1 0 0 0 0 25 32 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$