BTO6K2 -OEChem-04022101412D 46 49 0 0 0 0 0 0 0999 V2000 2.9521 1.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2773 -2.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1147 0.3215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0236 0.9184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 1.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1538 0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1783 -0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3763 -0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2773 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1603 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9308 -1.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6238 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9285 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 0.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 -0.9924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8048 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6316 -1.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5405 -0.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 -2.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 -1.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 1.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 1.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 1.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2187 1.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5223 1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7859 -1.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 -1.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3814 -1.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8026 0.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -1.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2504 0.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0399 -1.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 2.5992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 2.1985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 1.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1322 -0.5497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 -2.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 -2.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6154 1.1034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5675 1.3383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 23 1 0 0 0 0 2 11 2 0 0 0 0 3 14 1 0 0 0 0 3 20 1 0 0 0 0 3 37 1 0 0 0 0 4 21 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 18 2 0 0 0 0 14 17 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$