MMs03949841 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 1.3429 -0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6729 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0751 -2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5914 -2.1477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5408 -3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7686 -3.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -0.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 1.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4579 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8524 2.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5868 3.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2567 2.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8513 3.0532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 1.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4197 1.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 4.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0536 0.1136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 -1.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8587 1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 -0.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2548 -2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5204 -2.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8505 -2.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9149 -0.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6493 0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5347 1.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0743 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5347 -1.0743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 1.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 -2.3777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2997 -4.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3972 -4.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -4.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3234 -4.7625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8327 -3.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9867 -1.7024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4064 -0.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 2.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6383 4.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 4.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 5.6545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2934 4.1769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0831 -1.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7963 -3.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7103 -3.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2516 -3.9468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0866 -1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3734 0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9181 0.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4594 0.8873 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 6 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 M END