MMs03213642 MOE2007 2D CORINA 3.40 0006 02.08.2006 20 20 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 -0.5014 1.4137 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3499 0.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6882 2.3274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 1.4784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7733 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 0.0400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3385 1.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4796 1.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6482 3.8269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 4.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9398 1.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 -0.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -1.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 3.0240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 2.7436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6106 1.4073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 3.2974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 3.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 M END