MMs02038531 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 56 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 -1.3035 -2.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 -2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 -1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -2.2577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -1.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -2.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 -3.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7913 -1.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 -2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3893 -1.5205 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3893 -2.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1805 0.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6468 2.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1468 2.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6075 0.8588 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 -2.2731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0584 -1.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0599 -2.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3073 -4.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8407 -3.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8348 -4.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2955 -6.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7621 -6.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 -5.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -1.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 -2.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7055 -3.2878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 -3.1733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5214 -3.1703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8256 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -0.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -3.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7936 -0.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 -3.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -3.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0385 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9434 3.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8541 3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4605 -0.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0306 -0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8646 -1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0293 -3.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6615 -4.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4908 -7.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1307 -7.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9413 -5.7592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -1.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 53 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 53 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END