MMs02594863 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 -1.5000 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0037 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 1.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 3.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 3.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6243 5.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1587 6.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0516 4.6558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0537 3.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2685 2.2759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6278 2.6903 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2638 5.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 4.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 3.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8473 5.8146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2185 5.2064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.9079 6.3655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3774 3.7149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7486 3.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9608 3.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9075 1.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0045 1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9377 0.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4307 6.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2718 7.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5985 -1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1015 -1.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 1.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 3.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 1.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 4.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3994 6.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9334 6.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7201 7.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1802 3.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0888 2.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8019 5.4817 0.0000 O 0 5 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 14 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 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 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 40 -1 M END