MMs01947061 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 0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2412 1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7411 1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -1.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2587 -1.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8733 1.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 0.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3131 -0.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8897 -1.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5326 -1.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8988 -0.9479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2028 -1.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3697 -3.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3108 -0.6779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6914 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4326 1.9924 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2007 0.5214 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.7800 -0.9798 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9392 -1.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2532 -2.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7762 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2455 -0.1603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 2.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3341 2.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3657 -2.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6658 -2.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 2.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2690 1.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4152 -2.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1145 -2.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6317 -3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3919 -2.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3030 1.5651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0999 2.4623 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 12 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 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 39 40 1 0 0 0 0 M END