MMs01236462 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 47 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 0.6182 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -2.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -3.7789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2527 -3.1608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -1.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -0.6597 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6253 -1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7341 -0.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4136 1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -0.5597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2721 0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7014 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0219 -1.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4512 -1.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5600 -0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2395 0.5505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 1.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 -2.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3574 -4.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 -3.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0347 -4.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4086 -4.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3659 -1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 -1.7269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -5.5058 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0934 0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 1.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 -0.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -2.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 -1.8481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4197 -1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3222 1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8293 1.5133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1349 -2.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7076 -3.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7034 -1.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5538 2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 -5.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3753 -4.8337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6733 -2.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4983 -0.5503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 28 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 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 M END