MMs00157887 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 -1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4993 -2.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2503 -1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 -2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 -2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -0.5479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 0.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 -0.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 -1.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 -3.2591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3555 0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1983 2.0981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7260 -0.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9392 0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7821 2.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9954 3.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3658 2.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5230 1.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5791 3.5246 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7493 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2497 -1.3004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5997 1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -3.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6009 -3.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 -3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 -2.7529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8517 -1.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8696 4.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6194 0.6631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4355 -0.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8499 -0.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8494 -2.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 3 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 42 1 0 0 0 0 29 43 1 0 0 0 0 M END