MMs01049529 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 -0.7544 -1.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -2.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7631 -3.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 -3.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 -5.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -6.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3044 -5.3227 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 -2.5880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -1.2915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 -0.1734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6267 -0.7789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4749 -2.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -3.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0180 -2.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1361 -3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5611 -3.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8680 -1.8662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6792 -4.3344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.1042 -3.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4111 -2.3978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8361 -1.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9542 -2.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6473 -4.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2223 -4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3792 -2.4611 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 0.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 -5.6815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 -7.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 -4.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 -4.3288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4511 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9611 -2.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1929 -4.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7030 -4.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4336 -5.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5167 -1.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0817 -0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5418 -5.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9767 -6.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 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 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M END