BC2TH3 -OEChem-04012114403D 42 46 0 1 0 0 0 0 0999 V2000 2.7312 -2.7059 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 -3.0110 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1588 -0.4964 -0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 0.9726 -1.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 2.2387 0.0069 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4575 -3.2392 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 0.2297 0.0138 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7337 0.9144 1.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 0.1471 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 0.9270 -1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2555 1.0256 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 -1.0523 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7191 1.6841 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -1.1362 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.0154 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 1.3231 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4773 1.2329 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 0.3318 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 -2.4109 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 1.7251 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7358 -2.5545 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 -0.4195 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9151 2.3962 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0098 0.2367 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 1.6254 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -0.7652 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 0.3495 2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 1.9213 1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 0.3764 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 1.9457 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 1.6056 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 0.0250 1.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 2.7332 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 1.6816 -0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 1.4421 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 2.3013 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 3.2251 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 -4.2511 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 -1.5033 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 3.4801 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 2.1235 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9309 -1.4420 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 37 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$