MMs02947757 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 57 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 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 1.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7584 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5168 -2.5883 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 2.6272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9830 2.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7414 1.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 1.3526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5166 -2.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2582 -1.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2413 1.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4829 2.6662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7413 1.3818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4828 2.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9828 2.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7412 1.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9997 0.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4997 0.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7246 3.9214 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4305 3.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 4.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 5.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 2.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3651 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 3.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1079 3.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8346 2.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -1.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4234 -3.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1234 -3.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4582 -1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3526 3.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6835 3.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7668 3.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1078 3.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1300 -0.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7990 -1.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3748 -0.3301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7158 -1.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 5.8223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 6.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 4.6088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END