B1KO2B -OEChem-04012117452D 42 44 0 0 0 0 0 0 0999 V2000 9.6814 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7358 -3.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 0.6511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9857 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6767 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6767 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0011 0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3677 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2991 1.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7040 -0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 -1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3523 0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 -1.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2748 1.4694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5728 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0484 -2.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5485 2.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8951 3.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1767 1.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2703 1.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -2.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1901 -2.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5581 -1.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 1.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6554 -2.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 -0.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6844 2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1534 2.7791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4126 3.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3510 3.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 3.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4392 2.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -1.4611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 -1.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 20 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 13 20 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 32 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$