BK57VO -OEChem-04012115492D 53 55 0 1 0 0 0 0 0999 V2000 3.4138 2.6794 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4176 3.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 0.1827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 2.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 2.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3984 -1.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0061 1.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -0.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1343 -0.3273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -1.8440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0967 -3.4061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -1.8714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -3.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -3.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 0.1761 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4099 1.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 -0.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0022 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 -1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5945 -1.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -1.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7342 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 -0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7265 -1.8373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0967 -1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -1.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9906 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 -2.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8566 -1.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -2.8714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 1.0660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4883 1.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 1.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 1.0976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 -0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7269 -0.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9298 -0.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4562 -2.4640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 0.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -1.6419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1365 -0.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7241 -2.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1038 -0.7168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6549 -3.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8819 3.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2596 -1.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -3.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 -3.0614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 17 1 0 0 0 0 2 49 1 0 0 0 0 3 18 1 0 0 0 0 3 50 1 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 32 2 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 42 1 0 0 0 0 11 30 1 0 0 0 0 11 31 2 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 51 1 0 0 0 0 13 30 1 0 0 0 0 13 33 2 0 0 0 0 14 33 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 31 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 31 48 1 0 0 0 0 M END $$$$