MMs01010305 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 1.3026 -0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -0.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 1.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 2.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 1.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 2.2808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 1.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0825 2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0754 3.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3708 4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6734 3.8054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6805 2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3851 1.5493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9831 1.5616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2786 2.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5812 1.5739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8909 -0.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1863 0.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1792 1.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8766 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4889 -0.6576 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 4.5369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -1.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9063 -1.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 -0.5704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 3.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 2.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 3.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3652 5.7492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 3.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0456 3.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5519 -0.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8966 -1.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2156 2.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8709 3.5300 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 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M END