MMs02295758 MOE2007 2D CORINA 3.40 0006 02.08.2006 32 33 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 -0.0113 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2821 -2.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -2.2402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 0.3354 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9794 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9842 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 -3.5450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7371 -3.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -5.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9529 -6.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2758 -7.9395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 -6.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -6.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1999 -4.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7699 -4.1043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4724 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0928 -2.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3449 0.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8378 -0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6228 -3.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2040 -5.8248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9543 1.1654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0321 -0.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7214 -1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 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 27 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 M END