MMs01726346 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 42 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 -1.4645 0.3246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 -0.9679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 -2.0913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -1.4931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 -0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -2.2769 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3398 -1.5382 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3398 -2.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7852 -1.9390 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4747 -3.0981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 -0.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7406 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0019 1.2127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6383 -0.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6897 -1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2889 -2.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8367 -3.0089 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.1419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1933 -1.8820 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6455 -1.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8030 -2.4604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0680 -1.6544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6924 -0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1952 -0.1107 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0391 1.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9876 2.3974 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8987 0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -3.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1996 -3.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0239 -3.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4833 -2.7482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3831 -3.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6442 0.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1308 -0.1324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4556 0.7238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4913 1.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 28 29 1 0 0 0 0 28 39 2 0 0 0 0 M CHG 1 29 -1 M END