MMs01103427 MOE2007 2D CORINA 3.40 0006 02.08.2006 50 53 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 1.4209 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -1.9127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3671 -1.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 -0.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6449 0.3864 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -0.0635 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3824 -1.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -1.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3491 -1.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6786 0.2585 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9892 1.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1419 -0.0710 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9905 -0.9195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8124 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 -2.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4097 0.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7379 0.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7984 -1.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0056 0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9452 2.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2129 3.1361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1524 4.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3339 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5507 -1.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0293 -1.5982 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.7263 -0.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2105 -0.0531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 1.2755 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1555 -3.5609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 0.3845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3845 -1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 -1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9330 -2.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3613 1.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3514 4.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1040 5.8339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9534 4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6920 -2.1840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9545 -0.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6540 1.0619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 0.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 2.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6901 -4.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6785 0.8034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4265 -5.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 2 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 33 2 0 0 0 0 32 48 1 0 0 0 0 48 50 1 0 0 0 0 M END