B1BIA9 -OEChem-04022106153D 37 40 0 0 0 0 0 0 0999 V2000 -3.9689 2.8663 -0.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 -1.3400 0.3597 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 1.2009 0.0848 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -1.9852 -0.4415 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -0.6081 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 -1.0876 0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 0.6704 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8605 -0.2241 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -0.5391 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8011 0.7167 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2221 1.6847 -0.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 -1.0313 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1381 -0.1694 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -2.3696 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 -0.6912 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 0.1434 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 -2.7930 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 1.2479 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5119 -0.1546 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 2.0544 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6379 0.6519 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 1.7565 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9555 -2.1448 0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8837 -0.9694 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9749 -0.5361 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8324 -0.3254 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2378 -2.3074 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 1.5730 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2758 1.8699 0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9899 0.8783 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5098 -3.0825 -0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8403 -3.8262 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 1.4948 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -1.0092 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 2.9136 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 0.4205 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7091 2.3844 0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 29 1 0 0 0 0 4 15 2 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$