MMs00106542 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 1.3031 0.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 2.2429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3505 1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 4.4999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2861 5.6590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3995 4.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2878 3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 2.5442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7878 3.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6761 2.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1001 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 4.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6628 4.9890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 5.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3358 6.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 7.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9338 6.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9256 5.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 4.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 2.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 -0.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5943 -1.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3031 -0.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -1.0501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -0.6198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2037 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9055 6.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 5.5769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3115 1.4187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0747 2.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0589 5.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 7.3485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 8.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 7.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 4.6231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 M END