MMs01392597 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 42 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 1.2958 2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 0.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4941 0.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4920 2.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -1.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0965 -2.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3944 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0922 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6903 0.7666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6881 2.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3880 3.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9861 3.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 4.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6076 4.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3594 3.5264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3573 2.4103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6945 -2.2334 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 -0.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 -1.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 2.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2941 3.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 2.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 -0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6661 1.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 -1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7580 -2.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 -3.4371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0905 1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7303 0.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2479 5.3121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0941 5.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5530 3.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 0.7518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 41 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 M END