MMs03091683 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 80 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 1.2947 0.7575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2554 1.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0151 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7495 -0.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3556 -1.2795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5556 -1.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 0.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3643 -2.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -3.5219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6285 -4.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 -2.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 -3.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 -5.0068 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2745 -6.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9798 -5.7643 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9406 -6.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6764 -5.0219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7157 -4.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -5.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9885 -7.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5778 -5.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8725 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 -5.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4705 -4.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4618 -3.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7739 -5.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0686 -4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3719 -5.7038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6666 -4.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9700 -5.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2646 -4.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5680 -5.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8626 -4.9160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1660 -5.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4607 -4.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7641 -5.6434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8638 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 2.2575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2859 3.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0357 -0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -2.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -3.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1857 -1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7283 -1.8407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -6.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0312 -7.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8119 -6.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3545 -6.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1829 -6.9341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2919 -4.0467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8345 -4.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6060 -6.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1486 -6.6186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8899 -4.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4326 -4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2040 -6.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7466 -6.6035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4879 -4.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0306 -4.0074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8020 -6.5973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3447 -6.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0860 -4.0013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6286 -3.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4000 -6.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9427 -6.5732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0637 -3.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8568 -2.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 -3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 1.9794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 3.6211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 4.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0244 4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4520 -3.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4877 -2.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 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