MMs01461868 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -1.5000 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5092 2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 3.8997 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7546 1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 2.4961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0655 2.0276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0602 0.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.0691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 -1.3558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2706 -0.3584 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6430 0.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8534 -0.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6914 -2.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2259 -0.0339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.4363 -0.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8645 -0.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7419 -1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8559 -2.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4310 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 -1.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9454 1.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 -2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9887 -1.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9755 1.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5092 1.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3556 1.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7469 0.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3803 0.6366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9059 0.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6365 -0.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6308 -2.4841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8930 -3.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3640 -3.9829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2380 -2.2902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1773 -3.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 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 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END