MMs01087845 MOE2007 2D CORINA 3.40 0006 02.08.2006 78 78 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 0.7567 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 -1.2875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6566 -0.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -2.5826 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6133 -3.6219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -5.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -3.8932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -5.1961 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5733 -6.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -6.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 -5.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 -3.9086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 -6.5067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.5749 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2566 -1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -1.2644 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1566 -2.3036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5132 -2.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0132 -2.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7565 -1.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 -3.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2699 -3.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0265 -5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5265 -5.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 -6.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 -7.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0399 -7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 -6.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 0.0385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2433 1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4866 2.6365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0866 3.6758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7299 3.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 5.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7166 6.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -0.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3689 -1.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9711 -2.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0423 -0.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 1.0577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 0.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -2.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -7.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 -7.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8195 -5.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 -6.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6113 -7.5428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 -3.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3877 -2.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7277 -3.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 -2.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3954 -3.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1212 -4.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4831 -6.4158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1452 -8.7610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 -8.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0832 -6.4435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6999 0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 3.1557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 4.6983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0732 6.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7527 7.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1112 7.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6804 5.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 4.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1732 5.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9670 6.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5919 1.6081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9865 2.6442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5812 3.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 45 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 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41 75 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 M END