MMs01538123 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 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 1.5000 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2394 -1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4788 -2.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0211 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7816 -3.8909 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6302 -3.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2513 -4.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 -5.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 -6.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0422 -5.1960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -5.2082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6577 -5.2082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 -6.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5759 -7.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6825 -8.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 -8.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 -6.6822 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7253 -6.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0182 -5.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3233 -6.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3355 -7.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0426 -8.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -7.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6406 -8.6390 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 1.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 1.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 -1.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -1.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3671 -2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4513 -4.1811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 -8.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 -10.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -8.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 -4.4602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3577 -5.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -9.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 -8.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 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 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 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 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END