MMs02572642 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 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 0.4839 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -2.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4601 -4.2029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 -5.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 -5.2255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 -3.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9384 -3.3627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1178 -0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 0.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1404 1.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.6232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2581 -1.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8485 -3.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3379 -3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2368 -2.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6464 -0.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5453 0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9549 1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7262 -2.3357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3166 -3.7146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1358 0.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1358 -0.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -6.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 0.4638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 2.1436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4212 2.3851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1293 -4.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8102 -4.4615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 0.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8518 1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 2.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0580 2.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4198 -3.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7890 -4.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2135 -4.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END