MMs01681196 MOE2007 2D CORINA 3.40 0006 02.08.2006 29 30 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 -0.7499 -1.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -2.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4915 -2.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 -4.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5041 -4.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3895 -3.9686 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.4953 -1.6407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9625 -1.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9663 -0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4335 -1.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8969 -2.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4373 -0.0355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.9739 1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9777 2.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5067 1.7032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5029 0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0357 0.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -0.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 0.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8994 -4.7108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3786 -6.1659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 -0.4994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3332 -3.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6111 -0.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 2.8445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 M END