MMs01698858 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.1477 -0.9658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2462 0.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 1.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5571 -0.6735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2688 -2.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -3.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7797 -2.3262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9174 -0.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1449 -0.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 -2.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5053 -0.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7328 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5999 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8274 -3.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3207 -1.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0932 -0.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6810 -0.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0414 -0.0998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2439 -1.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 -0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8162 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -2.6456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4547 -3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -3.9360 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 0.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 -3.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 0.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 0.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6116 0.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5117 -3.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7212 -4.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1698 -3.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 0.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 -0.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 -3.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -4.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 3 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 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 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 42 1 0 0 0 0 26 27 1 0 0 0 0 M END