MMs00828967 MOE2007 2D CORINA 3.40 0006 02.08.2006 36 38 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 1.3756 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 -0.3039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1268 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9211 -2.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -2.0884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -4.1090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 -2.6652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 -2.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7893 -5.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2797 -5.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8777 -3.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3681 -3.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9662 -2.2106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0739 -1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5835 -1.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9855 -2.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 0.0310 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 11.4565 -2.0407 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.3488 -3.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 -0.6651 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1913 -6.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 -8.0528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4785 1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 0.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -1.1005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 1.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 0.4100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 -2.8022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9935 -6.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0819 -4.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 -2.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6720 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9581 1.3354 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 32 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 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 3 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END