D04JTK -OEChem-10101305032D 40 43 0 0 0 0 0 0 0999 V2000 2.4131 -0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 2.2389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1355 -0.6217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 1.1146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7638 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7638 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0728 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4487 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4692 0.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 -0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 1.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 0.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1144 -0.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7807 -1.1633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4680 -2.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7596 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1343 -2.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4259 -1.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1132 -2.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2638 2.8589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2503 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2730 2.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2772 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3971 1.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 2.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9416 -1.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6415 -0.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8844 0.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -1.1975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9191 -0.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 -2.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9535 -0.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9404 -3.4478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0329 -1.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -3.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 40 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 14 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 26 1 0 0 0 0 12 15 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$