MMs01377463 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 -1.3051 -0.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 -2.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -2.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 1.4789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -0.7816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4889 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8061 1.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5132 2.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 2.1761 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8507 0.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 3.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4163 2.9156 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 11.4506 2.3072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -2.9788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9152 -2.2183 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -3.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2082 -1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3528 0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8175 0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5780 -0.9339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5834 -2.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9071 -3.5214 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.4164 1.7342 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0097 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -0.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0341 -4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -2.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 -1.9816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -2.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8283 -0.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 3.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 2.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6321 -4.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 0.8309 0.0000 H 0 0 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 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 35 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 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 19 -1 M END