MMs01961393 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.0470 -1.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 -0.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0015 -1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 -1.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 -2.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5022 -2.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6558 -3.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5581 -4.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9241 -2.2715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5545 -0.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5133 0.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0576 -0.7201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3175 -2.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4952 -1.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2795 -0.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8886 -2.4533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0663 -1.5243 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3769 -2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5101 -1.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3431 -0.6836 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.6079 0.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6423 -1.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4141 0.4941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0069 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8593 0.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 0.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 -0.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6866 2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5712 0.3306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 -2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7231 -3.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6864 -3.8475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2130 -3.6257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0611 -3.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0657 -3.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5722 -2.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7395 1.6491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0090 0.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 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 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END