BD4PK3 -OEChem-04012115312D 40 42 0 0 0 0 0 0 0999 V2000 5.5686 0.4207 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 -0.9805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 3.9692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 1.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3657 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 2.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7725 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7834 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1847 4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9791 -2.0876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7145 -2.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 -1.8298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 1.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 1.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3891 3.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 2.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 4.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$