MMs01425539 MOE2007 2D CORINA 3.40 0006 02.08.2006 34 37 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 -0.7454 -1.3017 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 1.5091 -2.5928 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 1.5000 0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 -1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 -3.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -3.7039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2714 -4.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 0.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 -1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3734 -0.0411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8016 -0.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0121 0.3864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 1.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2287 -0.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 -0.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7024 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2439 -2.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 -3.0304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7702 -1.9192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2702 -1.9245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1685 -0.9681 0.0000 Cl 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 -1.9454 -1.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5872 -3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 1.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 -3.6854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7026 -2.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2105 -1.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0616 0.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0500 -3.6023 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 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 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 M END