BTHB18 -OEChem-04022109133D 28 28 0 0 0 0 0 0 0999 V2000 -3.1696 -2.0521 0.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 2.8211 -0.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3078 1.6697 0.9528 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8314 -1.5440 -0.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 0.7569 -0.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 0.4971 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 0.6048 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -0.7312 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2661 1.6099 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 -0.6175 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -0.8518 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 1.4890 -0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 0.2582 -0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 -0.3479 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5594 -2.1040 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2094 -1.4582 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -1.6039 0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -1.1895 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3402 -1.2215 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1953 2.3462 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 0.2351 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 3.4675 -0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1485 -1.4611 0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 -3.1325 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 -1.8845 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5975 -2.4750 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 -0.9406 0.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -0.9453 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$