MMs00951728 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 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 0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 1.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 2.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 3.8936 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7439 1.3164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 2.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9879 2.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 0.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2439 1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9999 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4999 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2559 -1.2468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7559 -1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4999 0.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5119 -2.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0119 -2.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7679 -3.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2679 -3.8169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.0239 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2800 -6.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.5239 -5.1055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2800 -6.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7799 -6.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.5239 -5.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.7679 -3.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.2679 -3.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5119 -2.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -20.1070 -1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0119 -2.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2558 -1.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.5360 -7.6896 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.5952 -1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 -1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 3.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 1.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3584 3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6908 3.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 3.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1136 3.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7971 -1.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 -0.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3742 -0.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7138 -1.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3696 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 2.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8742 -0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2138 -1.1390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2860 1.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6256 0.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6607 -2.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3862 -2.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7258 -3.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7980 -1.3476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1376 -2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6422 -4.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9818 -5.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6848 -7.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.7239 -5.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.3630 -2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7439 1.3304 0.0000 N 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 39 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 64 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 64 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 54 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 22 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 35 1 0 0 0 0 28 29 2 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 2 0 0 0 0 M END