MMs01818341 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 1.4646 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5566 -1.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 -0.0897 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5512 -2.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0209 -2.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0155 -3.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 -4.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -5.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 -4.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 -2.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -4.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -2.9797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 -4.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -5.5777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -4.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 -5.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4785 -6.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -8.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 -8.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4784 -6.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7178 -5.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4995 -9.4321 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 0.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -1.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4010 -1.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1913 -3.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 -5.8211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 -6.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 -4.3399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 -1.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0489 -3.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 -6.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -9.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6783 -6.8243 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 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 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 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 M END