MMs01548918 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3376 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5746 -2.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 -2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 -1.0547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7396 -3.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 -3.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -5.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1058 -6.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -6.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -4.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -3.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9061 -4.6706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 -2.8364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 -3.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4424 -3.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 -2.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5013 -4.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9508 -4.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3414 -2.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0098 -5.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4593 -4.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5183 -5.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1278 -7.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6783 -7.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6193 -6.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5431 1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 0.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -1.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 -2.7964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1192 -5.2002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6523 -7.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 -7.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 -4.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 -4.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4983 -4.9871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1889 -5.7338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7717 -3.7070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6779 -5.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9750 -8.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3659 -8.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4597 -7.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 13 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 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 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END