MMs01108504 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 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 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 2.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 1.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7429 3.8985 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2429 3.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 5.1961 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7524 1.2922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7476 -1.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2476 -1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9952 -2.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4952 -2.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2476 -1.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5000 -0.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -0.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7476 -1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4952 -2.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9952 -2.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0000 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5000 -0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7524 1.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0047 2.5761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7524 1.2702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7428 -3.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2428 -3.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9904 -5.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2381 -6.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7381 -6.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9905 -5.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9857 -7.8272 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 -1.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0981 -1.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 3.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9476 1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3543 2.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7938 1.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1284 0.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3933 -3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0933 -3.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1019 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4019 1.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8933 -3.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1543 2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9524 1.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8447 -2.8906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1904 -5.2313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1362 -7.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7905 -5.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7476 -1.3279 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 10 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 40 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 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 29 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 54 2 0 0 0 0 25 26 1 0 0 0 0 26 27 3 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END