MMs02480746 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 67 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 1.3075 -2.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8999 -0.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5036 -2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0847 2.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3866 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -0.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 -2.2157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 -2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4092 -4.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7111 -5.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0073 -4.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0016 -2.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6997 -2.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6941 -0.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2921 -0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2978 -2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5997 -2.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8959 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8902 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1977 -2.9314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.9428 -1.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4526 -4.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4996 -3.6765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7958 -2.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7901 -1.4216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6828 2.2941 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 0.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -3.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 -2.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 0.9320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 0.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1320 -1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6747 -1.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 1.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 2.1255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0802 3.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 -5.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7156 -6.4058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0488 -5.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5201 -2.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9858 1.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7793 -2.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6042 -4.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9272 -0.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5838 1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 -4.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8271 -0.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7486 -0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 -0.7451 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2626 -1.3451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0976 -3.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1346 -3.0627 0.0000 H 0 0 0 0 0 0 0 0 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 1 61 1 0 0 0 0 2 39 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 2 61 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 61 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 47 1 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 53 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 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 63 2 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 61 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 61 1 M END