B6KPY8 -OEChem-04042103003D 31 31 0 1 0 0 0 0 0999 V2000 -2.4338 2.1632 -1.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2674 -0.8833 1.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2661 -0.2629 -0.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5175 2.9655 0.9150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 -2.6739 0.1693 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 0.9276 -0.0123 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6627 1.2443 -0.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 0.4030 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 2.0696 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6785 0.8608 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 -0.8125 -1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0489 -1.0781 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.0834 1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1601 -1.5899 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 -2.2750 -0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0097 -1.1419 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 0.7812 1.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 2.3026 -0.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 1.1221 -1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -0.4828 -1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 1.8124 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 -1.1705 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 0.4318 1.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3476 -2.5442 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -3.0875 -0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 -2.0231 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -1.7474 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 3.7666 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 2.8746 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6965 -2.9792 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 -3.4856 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 12 2 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 15 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 14 2 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$