B3BQ5A -OEChem-04022107022D 48 51 0 0 0 0 0 0 0999 V2000 8.1028 -1.1193 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4225 -0.5623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -2.5304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8036 -2.3216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8134 -4.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 -0.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7736 -0.5623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -2.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0707 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 -2.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -1.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7748 -1.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7521 -1.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4241 -2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0575 -0.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4014 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 -0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7068 -1.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1187 -3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -3.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 2.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4648 -1.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 -2.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2502 -2.1904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 -2.4338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6408 -0.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 -2.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2241 0.1061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3127 -1.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 14 2 0 0 0 0 3 22 1 0 0 0 0 3 30 1 0 0 0 0 4 22 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 21 2 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 21 1 0 0 0 0 9 31 3 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 22 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 31 1 0 0 0 0 26 28 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$