MMs01256096 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 -0.7609 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2608 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -1.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7391 -1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2607 1.2549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5217 2.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 3.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7825 3.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5434 5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8043 6.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3044 6.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5435 5.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7607 1.2423 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7481 -0.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7733 2.7422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2606 1.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0215 2.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5215 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2605 1.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7605 1.1919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4995 -0.1134 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1942 -0.8525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8048 0.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2386 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6170 -2.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7232 -3.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0285 -3.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7290 -1.5880 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -17.3937 -3.6794 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.4996 -0.0882 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0909 -1.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9997 -0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 2.3369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 2.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -2.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -2.3394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2815 -1.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -0.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 1.7966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 3.3392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3737 2.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7433 5.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4130 7.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7131 7.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3435 5.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4303 3.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1302 3.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4412 -3.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5878 -4.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 -1.1098 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 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 35 2 0 0 0 0 20 21 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 54 1 0 0 0 0 M END