MMs01127486 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 64 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 1.3026 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9078 -2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9007 -0.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 -0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5059 -2.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1039 -2.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4065 -2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 -2.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 -0.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2928 -0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9831 1.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2785 2.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2713 3.8183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3106 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4806 4.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0103 6.1301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 6.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0536 4.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0046 -2.9378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1685 -4.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6372 -4.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3810 -3.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3720 -2.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2734 -2.8487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 -4.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9499 -2.8264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 1.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1904 1.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7884 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0676 -2.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4123 -4.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3864 1.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9410 2.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6943 1.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4593 2.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0856 3.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5745 5.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1828 6.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8791 7.3229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6300 7.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 6.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9685 -4.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0488 -5.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 -5.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7358 -5.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3552 -4.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1797 -2.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7670 -1.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3394 -1.6112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END