MMs02589961 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 46 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 0.8197 -1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 -1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 0.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 -2.3489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8108 -0.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7573 -2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3722 -3.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1565 -1.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4163 -2.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7513 -1.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9827 -0.2005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4637 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2780 1.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7761 1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4600 -0.1132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6457 -1.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1476 -1.2977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0893 -2.3607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3271 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0747 -0.0545 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 1.7298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 1.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2839 -1.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -2.4249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 1.3157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 -3.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 -3.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3561 -3.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7308 2.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 2.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6584 -0.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1929 -2.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1423 -4.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5174 -5.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5120 -3.6514 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 30 1 0 0 0 0 2 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 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 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M END