BBSU72 -OEChem-04022103203D 36 39 0 0 0 0 0 0 0999 V2000 -2.8260 2.8232 -1.4031 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1357 -1.1615 1.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3118 0.4764 0.1288 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6505 2.0123 -0.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5318 -1.0270 -1.3392 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1831 0.9432 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 0.0255 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 0.4387 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 0.9298 1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 -0.2187 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9879 1.7731 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -0.0317 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 0.4633 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 -0.6012 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 -0.1209 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0579 -0.6225 -1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5685 -1.6131 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7453 0.4960 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 -0.1745 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 -0.7552 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7804 -2.2930 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -0.1838 -0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9747 -1.5783 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 1.3733 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 2.8359 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 0.8780 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 -0.1433 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9407 -1.0375 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 -2.2091 -0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7976 1.5724 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4776 0.1189 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4908 -1.0140 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7938 -3.3785 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8891 0.3714 -0.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -1.2618 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9185 -2.1076 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 35 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 24 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$