MMs02409469 MOE2007 2D CORINA 3.40 0006 02.08.2006 80 85 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 1.3047 0.7402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5867 -1.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -2.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1847 -1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9027 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5007 0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5120 2.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -0.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 0.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0987 -0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1100 2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4147 2.9213 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3755 3.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4261 4.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7421 6.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0468 7.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3401 6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7701 7.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3906 8.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8835 8.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7560 7.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1355 6.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6426 5.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7518 4.6674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1139 3.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3287 5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 4.4016 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0633 3.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0127 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7080 2.1615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.7473 1.5615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6967 0.6615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6967 -0.5385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3920 -0.0786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3920 1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 -1.5786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0760 -2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 -0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2947 0.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9787 -1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2720 -2.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2489 7.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8694 8.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 -0.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5921 -1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 2.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 3.4401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1161 2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 -2.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 -3.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2193 -2.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 1.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 1.9817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7081 3.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2427 4.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0242 5.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3402 7.7921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5588 6.4619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2824 8.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8250 8.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6926 9.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3799 9.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8335 5.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1960 3.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4146 1.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4839 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 -2.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6681 -3.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6641 -3.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3066 -2.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8798 -1.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9619 8.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3657 9.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7768 9.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7307 5.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 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