MMs00175598 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.5000 0.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2561 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -2.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4444 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 -4.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 -4.0153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -4.3807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8688 -4.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1736 -5.9658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4842 -7.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -6.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -8.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -6.4361 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7175 -5.4377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7191 -4.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7159 -6.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -4.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5321 -2.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -1.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0759 -2.4426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3808 -3.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2613 -4.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5662 -6.3783 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.3467 -0.5036 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 1.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 1.0492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 -1.2826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 -1.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -6.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0414 -3.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 -4.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -7.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3926 -2.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9715 -1.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5203 -4.2875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 -6.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2658 -7.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 39 40 1 0 0 0 0 M END