MMs01385676 MOE2007 2D CORINA 3.40 0006 02.08.2006 28 30 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 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 -1.2892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -2.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -4.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7713 -4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -4.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7778 -6.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -7.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -4.4964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 -3.4975 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 -3.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8715 -5.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6368 -1.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3715 -5.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8412 -3.9778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6316 -3.0908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0955 1.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4556 -1.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 -1.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3026 -5.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8130 -5.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 -6.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0801 -7.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -8.3474 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 27 28 1 0 0 0 0 M END