MMs02054768 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 1.5000 -0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7569 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -1.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -1.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -2.6061 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2290 -3.9092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -2.5980 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7429 -1.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 1.2627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2569 1.2547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6569 2.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 0.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5611 0.4923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7698 -0.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5691 1.9922 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1451 2.4634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7874 2.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6386 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8569 5.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2239 4.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3726 3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1544 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0065 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 2.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 2.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 -2.3616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 2.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0896 -0.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 -1.0625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1091 3.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6390 3.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5450 4.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7378 6.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1985 5.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4663 2.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2734 1.0558 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 11 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 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 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 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END