MMs01238512 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 0.0058 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -2.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 -2.2450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 -0.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5627 -3.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6096 -2.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 -4.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9173 -5.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 -4.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2077 -2.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8057 -2.9700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 -2.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0961 -0.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6999 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4038 -2.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0018 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7468 -1.6481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2568 -4.2519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3037 -3.6950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5154 -5.2250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -1.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -2.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 -3.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -5.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9219 -6.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9011 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8103 -4.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0546 -0.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3876 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7311 -0.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4084 -4.1600 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 1 0 0 0 0 2 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 35 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 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 M END