MMs02388575 MOE2007 2D CORINA 3.40 0006 02.08.2006 77 81 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 0.7545 -1.2964 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5419 -2.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1347 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 -4.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5367 -3.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -4.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 -5.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -3.5419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3630 -4.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 -3.5328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6542 -2.0328 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6542 -0.8328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 -1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -2.0419 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 -0.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9506 -1.2783 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9899 -0.6783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2523 -2.0238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -3.5238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9611 -4.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9663 -5.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5591 -4.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5644 -5.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8556 -3.5147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1572 -4.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4536 -3.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7553 -4.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7605 -5.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0621 -6.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3586 -5.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3533 -4.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0517 -3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0465 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7448 -1.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6497 -3.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9514 -4.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5487 -1.2693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2418 0.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6438 0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6647 -5.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3683 -5.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8279 -5.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0371 0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6036 1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0371 -0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 -0.1055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 -1.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 -4.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 -0.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8514 -2.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3891 -5.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9318 -5.1768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4494 -2.3057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7234 -6.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0663 -7.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3999 -6.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2575 -4.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8455 -0.0609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 1.5798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6382 2.0133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2402 2.0085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3456 0.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1853 -5.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -4.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -6.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3429 -1.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6445 -1.9876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9454 0.2217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6817 -1.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3387 -0.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 51 1 0 0 0 0 6 7 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