MMs00245939 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 0.7580 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0159 -2.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 -1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 -2.4656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 -1.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 -0.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 -0.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2896 -2.8675 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2504 -3.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1420 -4.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3609 -5.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7275 -4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8751 -3.1232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6562 -2.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2416 -2.5047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8601 -3.8712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 -1.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6082 -1.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7558 -0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1223 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3412 -0.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1936 -2.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8271 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6795 -4.2531 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6064 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -1.2944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -2.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 -3.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 -3.1916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3936 1.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 1.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1223 -3.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 -3.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 -4.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6226 -5.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 -6.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0381 -6.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0249 -5.7785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9240 -4.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9790 -1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5142 -1.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7806 0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2404 1.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4345 -0.1543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1688 -2.8412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 M END