MMs01332957 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 0.5240 -1.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3051 -2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6276 -3.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0331 -3.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.8077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2253 -5.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 -2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 -4.0494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9963 -4.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -2.8476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2996 -2.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1044 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6030 -1.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2969 -3.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4922 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9935 -4.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 -5.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8826 -6.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 -5.4433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -6.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5793 -8.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7745 -9.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -9.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -7.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3867 -6.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 -10.5067 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 0.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4192 1.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 -0.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 -4.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -6.4315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3814 -5.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 -2.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5493 -0.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2468 -0.6971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4958 -3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0473 -5.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7782 -8.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -10.3687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -7.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -5.5812 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 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 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