MMs02496968 MOE2007 2D CORINA 3.40 0006 02.08.2006 76 84 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 1.4144 0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5541 -0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2794 -1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2039 -0.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3948 0.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8955 1.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3959 1.4613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 2.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8707 2.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3453 2.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8447 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8695 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6520 -1.4697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1109 -1.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2300 0.3743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 1.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4718 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8272 0.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1817 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2132 -0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4962 -1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0216 -1.0475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1504 -1.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2788 -2.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7783 -2.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4953 -1.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7127 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6880 1.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0733 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9542 -0.8978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0939 -1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8191 -3.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5083 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7437 -2.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9346 -1.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4352 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9357 0.0642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2061 1.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4105 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8851 0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3844 -0.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4092 -1.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1917 -2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6506 -2.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7697 -1.0228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 29.0494 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3670 -0.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0116 1.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1315 -0.3995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2342 -2.0269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1255 3.2758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 -1.9853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0515 -2.6013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2664 -2.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3105 -1.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4015 2.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7052 -3.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4043 -3.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6997 1.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2616 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4152 1.7478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2530 0.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7739 -3.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0110 2.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6653 1.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1081 -3.3825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.5912 -3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8061 -3.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.8502 -2.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0353 1.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9575 1.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 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