MMs01645353 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 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 1.2950 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 -2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 -3.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -2.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -0.7710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6061 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 2.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9092 2.2290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9172 3.7290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9172 4.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 4.4859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 5.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 6.7429 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3434 8.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2203 4.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 5.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5153 3.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1052 2.2010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1133 3.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8183 4.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4002 1.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7033 2.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9983 1.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6871 -0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 1.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 0.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6056 -1.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2445 -2.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 -4.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -2.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 -0.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9452 1.6234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2058 3.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 4.7007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 5.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 7.1113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 8.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 9.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 8.2493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3266 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 1.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0259 0.5429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5686 0.5346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2940 3.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5298 4.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 5.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5946 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7097 3.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0407 2.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0262 -0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6807 -2.0129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 -0.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 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 24 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 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 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 M END