MMs00898438 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 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 0.0101 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2839 -2.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -3.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6081 -1.4825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8920 0.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 -1.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9121 -2.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4799 2.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8041 -1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1082 -2.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4021 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0880 0.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7062 -2.1715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0002 -1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3745 -2.0137 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3707 -0.8923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9707 -1.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8358 -0.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9826 0.9222 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4818 0.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6082 1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6120 0.4017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0120 1.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1469 0.0800 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -5.9999 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3271 -1.6657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -4.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3674 -4.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -0.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 1.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6572 1.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3864 -1.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -2.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -3.1482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 -3.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7689 -2.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1162 -3.3889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4273 0.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 2.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7142 -3.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9693 -1.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0358 -0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2012 2.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6327 2.2219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END