MMs01106896 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 0.7414 1.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0172 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 1.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5171 2.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 -0.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7584 1.2544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7413 -1.3436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2412 -1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9998 -0.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4998 -0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2412 -1.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4826 -2.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9826 -2.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2240 -3.9713 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -12.7411 -1.3832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4825 -2.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9825 -2.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7411 -1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.9997 -0.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4997 -0.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2410 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9824 -2.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9996 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3986 1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5199 2.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8139 1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4924 0.0280 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 3.8822 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 1.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 3.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0931 -1.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8931 -1.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1344 -2.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4067 0.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1066 0.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3758 -3.6927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3522 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6831 -3.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7663 -3.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1074 -3.1150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1300 0.3039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7991 1.0840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3748 0.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7159 1.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2265 1.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4023 3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.9134 1.9740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 M END