MMs00186993 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 0.7421 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 -2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -2.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -3.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9682 -5.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7419 -1.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 -2.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0549 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3998 -1.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7577 1.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 2.5339 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.0522 0.4816 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4633 1.9974 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.7419 -1.3585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2419 -1.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -0.0732 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9839 -2.6713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4839 -2.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2418 -1.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7418 -1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4838 -2.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7259 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 -3.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4680 -5.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2101 -6.5821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7101 -6.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4680 -5.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 1.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 1.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0777 -3.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -5.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 -6.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -4.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9062 0.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1356 -2.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3776 -3.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6482 -0.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 -0.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6838 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2681 -5.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6038 -7.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3037 -7.6341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6680 -5.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 11 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 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 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 M END