MMs02595909 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 45 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 1.4924 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -1.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4772 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8617 0.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 1.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 -0.6036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8464 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3773 2.0382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5873 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 4.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8043 2.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2291 2.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3477 1.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1968 0.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5696 -0.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8137 1.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0612 0.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9381 1.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4305 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0460 0.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1691 -1.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6767 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7999 -2.1966 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3464 0.6194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 1.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 -1.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -2.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0927 -2.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5632 1.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8769 2.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2346 2.4045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4739 3.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1600 -0.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8237 -1.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4457 2.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1320 2.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2399 -0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6615 -2.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 M END