MMs00168259 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 -0.7524 1.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -1.3032 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 -4.5000 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 1.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2476 -1.3088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7476 -1.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0000 -0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7476 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9951 -2.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4951 -2.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2476 -1.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9951 -2.6205 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -10.6947 -3.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2956 -1.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7427 -3.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9903 -5.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7379 -6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2379 -6.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9903 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2427 -3.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9951 -2.6261 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -11.9854 -7.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7330 -9.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 2.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8456 -2.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -2.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 -2.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9019 1.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6019 1.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5932 -3.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8932 -3.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8495 -0.2819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7903 -5.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8359 -7.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1903 -5.2264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4854 -7.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8835 -8.8519 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 43 44 1 0 0 0 0 M END