BR1Y2J -OEChem-04022109152D 54 57 0 1 0 0 0 0 0999 V2000 5.5000 0.6174 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.1783 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 1.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -0.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8709 1.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 -0.6874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1393 -1.6659 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8341 -2.0231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9908 -0.7339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1783 0.9221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2320 0.6174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7619 0.1174 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2320 -0.3826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3660 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9883 1.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3455 0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2960 -0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0403 -1.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8836 -2.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1481 -0.6398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -1.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9675 -1.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7646 -1.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3519 1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 1.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6247 2.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 2.3337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2647 2.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1529 1.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7920 0.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -0.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 -0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 -1.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 0.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 0.7513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7557 -2.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4523 -1.1480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1187 -0.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 13 1 0 0 0 0 4 16 1 0 0 0 0 5 22 1 0 0 0 0 12 7 1 1 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 9 28 2 0 0 0 0 10 24 2 0 0 0 0 10 28 1 0 0 0 0 11 24 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 6 0 0 0 14 18 1 0 0 0 0 14 30 1 1 0 0 0 15 16 1 0 0 0 0 15 31 1 1 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 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 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END $$$$