MMs00864746 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 -0.0018 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3018 -2.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -3.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0055 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 -3.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -2.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5925 -4.5032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 -6.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2907 -6.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -8.2516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -3.7548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8925 -4.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 -4.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5721 -5.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2671 -3.2531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 -1.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1305 -0.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0511 -2.2632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7587 -3.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6419 -2.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0335 -0.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9166 0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4082 0.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0166 -1.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 -2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5082 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1167 -2.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 -1.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 -4.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 -5.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3362 -1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7727 -5.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 -7.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -8.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3274 -8.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4265 -4.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 -3.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8402 -0.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4299 1.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1148 1.1955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6202 -3.4548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3914 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5847 -0.2186 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 47 48 1 0 0 0 0 M END