MMs00158017 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 0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 -1.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5163 -2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7418 -1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -1.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1159 -2.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5453 -2.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 -0.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1311 -0.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 0.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1402 -0.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2877 -1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 -3.3077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3593 0.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2118 2.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7257 -0.0669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3112 0.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5303 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3828 2.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0164 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7973 2.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6019 3.4293 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7278 4.6483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4759 2.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8209 4.3033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -1.2755 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 1.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1228 -3.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 -3.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5117 -2.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8437 -1.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -1.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6234 0.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8984 4.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 2.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9141 3.8084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7029 5.4975 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 29 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 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M END