B3Z9BK -OEChem-04022100392D 42 43 0 1 0 0 0 0 0999 V2000 4.6456 -0.9805 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.3419 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 1.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 0.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 0.6287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2215 1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0404 3.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 3.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8366 0.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 1.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0738 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 2.0000 -0.5738 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 3.7320 -2.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5738 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 2.8660 -4.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 2.6979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 1.9052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 2.1086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 3.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 4.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 4.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 3.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 2.7527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 3.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 3.9859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 2.6251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 8 7 1 1 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 13 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$