B1OZR9 -OEChem-04022100292D 51 54 0 0 0 0 0 0 0999 V2000 7.6133 -0.6183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 -0.7115 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 -1.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 3.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 0.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 2.3817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -1.3502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 -2.3207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 0.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 1.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0774 3.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9434 3.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2114 -2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -2.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4793 -2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7473 -1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 -2.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -3.8817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1555 0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5540 0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6008 0.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9993 0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5540 1.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1555 2.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9993 2.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6008 1.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2534 3.3448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4804 4.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6334 4.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7483 -2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3454 -3.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9424 -2.4283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -2.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9179 -0.7838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -3.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -4.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -4.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 47 1 0 0 0 0 8 24 1 0 0 0 0 8 25 2 0 0 0 0 9 28 1 0 0 0 0 9 30 2 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 24 46 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M END $$$$