MMs01257144 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 -0.7439 -1.3026 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4561 -1.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0123 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 -3.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -2.5910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 -3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5245 -5.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -3.8793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5245 -5.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 1.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2561 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7561 1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5122 2.5626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.0122 2.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8996 3.7649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3240 3.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6265 4.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9220 3.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9149 1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6124 1.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3169 1.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8881 1.3378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 -1.5489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 -2.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 -5.7797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -6.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5609 -4.5699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6256 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1304 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 2.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5421 0.0863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8817 0.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6322 5.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9641 3.8774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9513 1.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6067 -0.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 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 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 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 1 0 0 0 0 M END