MMs01236767 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 40 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 1.4689 -0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 -1.5057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0866 -1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3437 -2.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -4.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 -2.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8991 -4.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 0.5808 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 -0.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6305 1.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 1.1985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 0.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 -1.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9033 -2.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2702 -1.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4188 0.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2004 0.9411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4886 -2.3014 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 2.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 3.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 2.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8744 4.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -1.1751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 -3.6910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4934 -5.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 -4.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7340 2.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 -1.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7844 -3.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5123 0.5603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3193 2.1352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 4.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7424 5.4831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3183 4.1584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 M END