BWX3V0 -OEChem-04022105083D 42 45 0 0 0 0 0 0 0999 V2000 3.5971 2.8898 -0.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6446 2.0803 1.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4234 -1.4796 -0.1929 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7775 1.2715 -0.4218 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -0.2479 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 -0.5189 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.1846 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0489 0.7395 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7629 -1.6163 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 0.8834 0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 -0.0632 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2678 -0.9337 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1945 0.6253 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0183 -0.6979 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6613 -0.8730 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 0.6859 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 -2.8662 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7669 -0.0004 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 -1.9593 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7205 -3.0444 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 1.9410 0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 -1.0897 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4316 1.1469 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 -0.9997 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4884 0.1920 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 4.1192 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 1.8502 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7702 -1.5633 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6415 1.2083 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 0.1283 0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -1.4511 1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0613 1.3077 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6964 -3.7323 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 -2.0939 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -4.0320 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 -2.0346 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9157 2.0531 -0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5376 -1.8379 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5663 0.3126 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 4.7706 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0804 4.6124 0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 3.9317 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 21 2 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 23 1 0 0 0 0 4 25 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 21 1 0 0 0 0 9 17 2 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 13 29 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$