MMs02049952 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -0.7428 -1.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5144 -2.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 -1.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7572 -1.2782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 1.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 1.3365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 2.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3738 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7978 1.9192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7895 3.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3603 3.8748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9981 4.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 5.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 6.6869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4153 6.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5804 4.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3718 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9541 3.9910 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2716 -3.8846 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6058 1.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5798 -3.6406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 1.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 -2.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0408 0.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3726 0.9407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8555 3.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1872 3.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0093 0.3044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 6.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9096 7.8796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3822 6.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5038 2.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 M END