MMs02865198 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 57 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 0.7545 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0091 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -5.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2364 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4909 -2.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 -1.3069 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 -3.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4818 -5.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9818 -5.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7273 -6.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2273 -6.5240 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.6273 -7.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9818 -5.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4818 -5.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2363 -3.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7363 -3.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9727 -7.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4727 -7.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7727 -6.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 -6.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -5.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -5.1804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 -6.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -7.7785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 -7.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 -9.0854 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7727 -6.4716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0371 0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6036 1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0371 -0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 -3.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 -6.2427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3528 -5.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 -6.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7776 -4.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1109 -4.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5982 -6.9252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9315 -7.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8556 -4.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1943 -4.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2693 -6.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6080 -5.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -6.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 -7.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -4.1485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0818 -9.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 -10.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 -7.5087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 -5.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4909 -2.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2182 -9.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8145 -10.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0945 -1.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 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 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 53 56 1 0 0 0 0 54 55 1 0 0 0 0 M END