MMs02456592 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 85 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 1.2938 0.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 2.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0207 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 5.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 4.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5773 3.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8608 5.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8505 6.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 7.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 9.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8298 9.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 9.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 7.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 11.2766 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 4.5357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4588 5.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7630 4.5536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0569 5.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 4.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6549 5.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9591 4.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2529 5.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5571 4.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8509 5.3663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1551 4.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1654 3.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8716 2.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8819 0.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1861 0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4799 0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4696 2.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7531 4.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4489 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4386 6.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7324 7.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0366 6.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0469 5.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7221 9.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0159 9.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1964 -1.3746 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 -0.6071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -1.0351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 2.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 5.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6207 2.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1877 6.9428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1691 9.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 9.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 3.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 6.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2238 6.2192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9980 3.6291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5407 3.6397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 6.2265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8218 6.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 3.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1387 3.6576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8772 6.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4199 6.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1941 3.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7367 3.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4752 6.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0179 6.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7921 3.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3347 3.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8426 6.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8282 2.9592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8469 0.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5233 0.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3952 7.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0717 7.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0903 4.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6231 8.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0510 10.5092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4088 10.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 6.7588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7634 3.1432 0.0000 N 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 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