MMs01568585 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 44 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 1.2927 0.7609 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2534 1.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 2.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 3.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8907 0.7828 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8907 -0.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 2.3046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0866 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 -1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6846 0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9899 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2826 0.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2700 2.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9647 3.1093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6720 2.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5879 0.1312 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.6087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6087 -1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1001 2.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 3.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 3.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 3.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 3.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0615 2.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4107 -1.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -2.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8106 -1.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2061 -1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0304 -0.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5730 -0.8471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -1.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3041 2.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6277 2.9396 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 43 1 0 0 0 0 M END