MMs01313394 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -1.4624 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6568 1.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 2.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 3.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1839 3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 2.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 2.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 4.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1939 4.9476 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 6.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 6.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 4.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 3.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 2.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 4.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5587 3.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 3.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1318 2.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9247 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 1.7978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1077 0.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1560 5.3324 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 -1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -1.0237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 0.2564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 2.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 4.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 5.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 5.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 5.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2440 3.3753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3688 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 32 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 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 M END