MMs01684594 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 1.5000 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7515 1.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 -1.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 -1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4971 -2.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 1.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2515 1.2897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 2.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2544 3.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5059 5.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7544 3.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6347 2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 3.1300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0318 2.4236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0635 4.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6375 5.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3273 6.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4431 7.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8692 7.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1794 5.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 2.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 2.3333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 -2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8959 -3.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -3.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 1.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 2.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2932 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6301 2.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2626 1.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1864 6.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1950 8.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7619 7.9020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3202 5.2604 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 M END