MMs01337168 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 42 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 0.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5159 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 -3.8832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7739 -3.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -2.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7579 -1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8741 1.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 2.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3035 0.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3127 -0.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -1.1712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -3.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6029 -3.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9695 -3.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1171 -1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8982 -0.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5116 1.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3456 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5537 4.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0074 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6803 -4.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 -4.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 1.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2908 -3.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4848 -5.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9446 -4.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2103 -1.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0163 0.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0442 0.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6630 2.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9716 3.7826 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 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 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 40 -1 M END