MMs03204685 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 -1.5000 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5209 2.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7395 1.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 3.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 3.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7603 1.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 0.0482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0625 0.5002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7519 -0.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0746 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6518 2.4752 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2689 -0.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1001 -1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6441 0.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8504 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2256 -0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4320 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4199 -2.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4435 -3.1734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8427 -2.9509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2044 -4.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7342 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9341 -1.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8623 -0.5239 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -14.2423 0.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8129 1.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6084 -1.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 -1.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 1.3147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 3.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6897 4.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2669 1.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3335 3.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9806 -1.5102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5134 -1.6838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5626 0.9157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0955 0.7421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 2.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 29 41 1 0 0 0 0 M CHG 1 27 1 M END