MMs00232858 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 1.1743 -0.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -0.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 -2.4169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 -3.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3549 -4.8105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -4.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3769 -3.1101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1796 -5.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -7.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8290 -8.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 -7.8004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6829 -6.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -5.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 -3.2195 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4576 -4.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -4.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4616 -2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8915 -5.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3708 -5.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8955 -3.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3748 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3295 -4.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8048 -5.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3255 -6.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7594 -7.1029 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7466 0.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 0.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -0.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3838 -7.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 -9.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8448 -6.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 -4.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4134 -4.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -5.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4718 -6.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 -2.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7946 -2.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5129 -4.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9057 -7.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 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 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 M END