MMs01453703 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 0.4266 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -2.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -1.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 -1.8647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7504 0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -1.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6265 -0.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2769 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1530 0.3784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5911 -0.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0912 -1.4624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5907 -1.4237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0173 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7815 0.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7428 2.3639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4315 0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7054 1.9892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1196 2.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2598 1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9859 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5717 -0.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1261 -0.9347 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 1.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1504 -0.3413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -3.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -4.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -2.7055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0353 -1.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 -0.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 -3.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8176 -2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5286 -1.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0289 -1.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6885 2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7662 2.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7933 2.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3388 3.6692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3911 1.9148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3525 -1.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 39 1 0 0 0 0 18 40 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 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 44 1 0 0 0 0 M END