MMs01847577 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 -0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -1.3144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2233 -3.9124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -3.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -1.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8898 1.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4361 2.5961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3132 0.6931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3029 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5104 -1.6968 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8732 -1.2606 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5327 1.5665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8988 0.9470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5183 2.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2794 -0.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2650 0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8506 0.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9972 -0.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7776 -1.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4115 -1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0082 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2822 -2.6001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 -4.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3161 -4.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6821 -2.6370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 1.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4155 2.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3672 2.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8262 1.2801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0901 -1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8949 -2.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -1.8640 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END