MMs00648568 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.4739 0.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1151 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 1.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -0.0303 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5655 -0.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -2.2383 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3355 -1.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -3.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -4.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9932 -5.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8001 -4.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -2.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 -2.1759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -3.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6738 -4.5832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5702 -5.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9517 -2.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 -1.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 -3.4778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5287 -2.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1033 -0.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2964 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1057 -3.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 -0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 -1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 2.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8406 -6.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -3.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -6.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -6.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 -4.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 -4.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -0.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2559 0.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4035 -1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -3.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5692 -4.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END