MMs02837852 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 0.9068 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3949 1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 2.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 2.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0696 1.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7443 4.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 5.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9764 6.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4093 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5098 6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1773 4.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 4.0101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6888 4.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0721 6.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9771 4.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1508 2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3825 1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6325 1.6384 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.3559 4.8205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5569 3.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9356 4.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1366 3.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9588 2.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5801 1.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3791 2.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1598 1.2258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.0585 2.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2612 0.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7396 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9406 0.0192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.3194 0.6099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4971 2.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2962 2.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9174 2.4073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 -0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9559 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5068 0.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -0.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5855 0.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 2.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 4.8128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 7.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 8.2437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6562 6.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4981 6.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0779 5.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2397 4.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4378 0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2761 1.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2802 -0.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6002 2.5720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4384 4.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3608 0.3271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2186 -0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 35 2 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 56 57 1 0 0 0 0 M END