MMs01088725 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 0.7593 -1.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -1.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 -2.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0186 -2.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -3.8809 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7591 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 -0.0308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3556 0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6707 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3771 -2.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0727 -1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 -2.4577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9536 0.2939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2580 -0.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5516 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5408 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8345 2.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1389 1.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1496 0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8560 -0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8668 -1.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4540 -0.4095 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 16.8237 4.0718 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6074 1.0349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -0.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 1.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0924 1.0758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3470 1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -2.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3857 -3.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2666 -1.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4973 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1738 2.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9103 -2.5206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M END