MMs01871654 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 -1.3011 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 -1.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3053 -2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6022 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 -3.7464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -4.4927 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5714 -5.0927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 -3.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5056 -3.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1037 -3.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 -5.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 -6.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 0.7391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4973 0.7319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4580 1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5014 2.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8026 2.9783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0995 2.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0953 0.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3923 -0.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3881 -1.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6934 0.7174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7309 0.1145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6976 2.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4006 2.9710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9987 2.9638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -0.0217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 -1.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4889 -2.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0376 0.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3045 1.9464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6314 -2.1101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 -4.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1337 -2.8220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 -2.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -5.4069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9826 -5.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 -2.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 -2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 1.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 -0.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 -0.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 2.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0942 3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8059 4.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0020 4.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0363 2.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8276 -2.1246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8109 -5.9782 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3179 -6.7464 0.0000 O 0 5 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 57 1 0 0 0 0 17 18 2 0 0 0 0 17 58 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 32 1 0 0 0 0 26 27 1 0 0 0 0 26 34 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 56 1 0 0 0 0 M CHG 1 57 -1 M CHG 1 58 -1 M END