MMs02586315 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 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 1.5000 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4909 2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 3.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4909 2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7454 1.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0157 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7545 -1.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0210 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0091 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7545 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7636 3.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 3.8892 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2584 2.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 5.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7636 3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5091 2.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 2.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7636 3.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0181 5.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5181 5.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7727 6.4820 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.7545 1.2754 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 -1.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1036 -1.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6327 4.9421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 4.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6909 2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 4.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 1.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9636 3.8693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6218 6.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 12 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 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 22 35 1 0 0 0 0 23 24 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END