MMs01991611 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 47 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 1.2966 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8898 -2.2627 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5883 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 -4.4767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 -5.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 -4.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -3.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 -2.9629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9376 -1.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -0.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4059 -2.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8741 -2.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3423 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3422 0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0965 1.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5627 1.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7146 -0.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 -5.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6237 -6.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9308 -7.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -8.3154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5179 -7.3081 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6034 1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 0.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6034 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 1.1915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 -0.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2505 -2.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2695 -3.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0314 -3.4888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6742 -2.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0740 1.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6920 2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7626 1.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4296 -5.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0255 -8.0613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -9.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 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 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 1 5 1 M END