B2S5DQ -OEChem-04012114372D 36 38 0 0 0 0 0 0 0999 V2000 7.7674 1.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1211 1.9404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 -1.3638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.5938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0619 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 -2.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7889 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0781 2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 2.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 -2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9816 -2.9037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 -2.1218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 -1.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6819 -0.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0619 0.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.0955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 2.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4643 2.4402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1845 1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6633 2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9288 3.1658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 14 2 0 0 0 0 13 18 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 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$