MMs02589319 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 38 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 1.2965 0.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2914 2.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 2.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 3.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8909 2.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 3.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 5.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3055 3.1743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9887 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9886 0.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4569 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4568 -0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9251 0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3934 1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3935 2.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9252 2.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8617 1.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 1.5563 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8192 4.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5736 5.9144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 4.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 0.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3286 2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3388 0.1421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4034 3.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0821 -1.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7250 -0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7681 3.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1252 3.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6616 0.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 35 1 0 0 0 0 M END