MMs01140827 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.5000 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 1.3139 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8414 2.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 1.3238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 -1.2742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0397 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6893 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8735 1.2590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 0.8049 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -0.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8986 -0.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 -2.4423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -2.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 -3.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8241 -4.8087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3373 -2.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4842 -1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8505 -0.5848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0698 -1.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9229 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 -3.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1422 -3.8249 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.9953 -5.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5084 -3.2057 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.4360 -0.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0079 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2994 -1.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -0.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 3.2148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 2.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 1.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 2.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0017 0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5370 0.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4175 0.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0543 -1.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 -4.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -3.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 -1.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6472 -3.2698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5087 -0.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9680 0.6094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4391 -4.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9314 -1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5290 -0.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9407 0.2537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8896 -1.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 -2.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 56 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 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 56 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END