MMs03572245 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 1.4164 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 -1.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 -2.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5523 0.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 0.7139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4343 1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3764 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 -1.6704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8500 -0.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8296 -1.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3031 -0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7971 0.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2706 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2502 -0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7563 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2828 -2.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7360 -2.8799 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 14.7238 -0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2177 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6913 1.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1852 3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3439 1.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8378 2.7997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 1.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 0.3951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -1.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -3.6402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 1.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4345 -2.3020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0133 1.4366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6657 1.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8876 -3.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0332 1.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 2.5691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4750 0.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3640 3.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4015 3.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 3 0 0 0 0 M END