MMs00666016 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 54 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 1.4281 0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8963 1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3963 1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8551 0.4509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9952 0.0763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 -0.4268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 3.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4048 4.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 4.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 3.1854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5506 4.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 3.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 4.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5951 4.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3494 3.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6037 1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1037 1.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3579 0.6021 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 3.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6036 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1036 1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8494 3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3494 3.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1036 1.9233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3579 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8579 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1122 -0.6747 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -9.3664 -1.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6122 -0.6698 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3409 5.7982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 7.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 5.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 7.0849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 5.7736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1835 0.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1425 -0.3671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 -1.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 5.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8054 1.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4774 1.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8159 0.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2460 4.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9459 4.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3036 1.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2613 -0.4243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 6.4914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 8.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6238 7.6982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3591 5.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 6.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 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 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 33 34 3 0 0 0 0 35 50 1 0 0 0 0 35 51 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END