MMs03639648 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.7430 1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 1.3110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2569 -1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 1.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7430 1.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7291 3.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2291 3.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4861 2.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 5.2201 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.4721 5.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9860 2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7429 1.3511 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0481 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7568 -1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0138 -2.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2568 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0137 -2.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5137 -2.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2567 -1.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4998 0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9998 0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 2.3390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 2.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -2.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -2.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -1.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6297 -0.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3485 0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2861 2.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8666 6.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5804 3.6885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7999 0.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4193 -3.5763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1192 -3.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0942 1.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3943 1.1001 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 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 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END