MMs02404596 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.0008 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 -2.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -2.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 -3.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -4.5014 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5564 -5.1014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -5.9933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0623 -7.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2187 -6.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9694 -5.0073 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5694 -6.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 -3.8920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4613 -4.8513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4644 -5.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 -5.3571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6790 -3.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 -3.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7492 -2.1258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0240 -0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7535 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2206 -1.3243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6833 -2.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1504 -3.0637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2907 0.4152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 -6.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9475 -8.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 -9.4668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3738 -8.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1154 -3.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -4.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -6.8764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3147 -6.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2143 -7.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1171 0.6653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0942 1.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 -8.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -9.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 -10.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 29 42 1 0 0 0 0 M END