MMs00958838 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 1.5000 0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 1.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2397 1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8911 -1.1591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 -0.6843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3021 0.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8719 1.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5344 -1.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 -0.9355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1203 -1.8075 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 -0.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2482 -3.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3408 -2.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 -4.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 -5.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7817 -4.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9267 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7062 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 -2.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 -2.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 2.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 2.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6778 -2.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2133 -2.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0158 0.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1034 -4.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3002 -6.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7580 -5.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0190 -2.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8222 -0.8643 0.0000 H 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 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END