MMs01812745 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.3030 -0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 -2.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -2.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1880 1.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0972 -0.7013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7657 -0.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7634 0.5730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0065 1.8680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5410 1.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4209 2.5460 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0854 -2.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9761 -3.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2958 -4.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7249 -4.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8342 -3.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5145 -2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6238 -1.4588 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0064 1.2000 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 1.3095 -1.9430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8218 0.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 -2.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5496 -2.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1456 2.1222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7877 1.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8329 -2.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 -5.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9807 -6.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9775 -4.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 34 1 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 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 M END