MMs00963940 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7582 1.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4835 -2.6075 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2581 1.2467 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6581 0.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0163 2.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2745 3.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0328 5.1390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 6.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0666 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4903 -1.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8891 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3127 0.6593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3032 -0.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8737 -1.2952 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0076 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6648 2.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 2.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3351 -2.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5933 -1.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9306 1.7638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9404 3.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3504 3.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 4.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3340 7.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6976 7.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2480 5.8494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3932 -1.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5255 2.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2880 1.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2696 -1.5522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 9 10 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 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 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 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 M END