MMs00555733 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 1.3034 -0.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9015 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9103 -2.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3123 -2.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 -2.9999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0306 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9537 -1.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4384 1.3252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 0.7883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4818 2.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 3.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0887 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3744 3.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6779 2.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6867 0.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2848 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2759 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9725 3.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 0.5939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5939 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 1.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9531 -2.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6228 -4.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 2.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0648 3.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 3.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 3.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5058 -0.3216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2692 1.0189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 -0.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5708 -0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1404 3.9850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5977 3.9759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6510 0.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9972 -1.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3275 0.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3116 2.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9654 4.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0798 2.3036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 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 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 45 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 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END