MMs01167799 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 53 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 0.7513 -1.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -1.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2539 -3.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5026 -2.5936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 -3.8919 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8539 -2.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5052 -5.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9052 -6.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 -5.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -6.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5078 -7.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 -3.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5052 -5.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 -2.5906 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0026 -2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8855 -3.8017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3116 -3.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3101 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8831 -1.3747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5227 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8937 -1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 -0.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9480 0.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5771 1.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3645 0.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1607 1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -0.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3759 -1.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 -2.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -0.1152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 -0.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -1.5538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -3.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 -5.1944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -6.3932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -5.7177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1765 -7.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4679 -7.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -8.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5476 -8.3887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9016 -1.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0203 -2.7559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2031 -1.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4505 2.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2677 1.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8670 0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1308 2.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4544 2.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 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 45 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M END