MMs00953019 MOE2007 2D CORINA 3.40 0006 02.08.2006 76 81 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 0.0101 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3141 -2.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3242 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 -5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -6.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 -5.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6286 -4.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4937 -5.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1865 -5.6717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7448 -6.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3844 -6.2760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0738 -7.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7259 -4.5847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1722 -3.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0473 -2.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -4.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8473 -3.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 -1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4829 -1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4445 -3.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 -4.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7240 -4.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6856 -5.6925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -3.4764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0801 -1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3979 -1.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6773 -2.0433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6390 -3.5429 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6390 -4.7429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3212 -4.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9184 -4.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9951 -1.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2746 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5924 -1.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6307 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3513 0.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0335 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3897 2.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 -5.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0081 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -1.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -2.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -6.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3492 -7.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 -6.6994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -8.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9134 -4.4121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 -1.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2341 0.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5371 -1.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 -4.7263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8934 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6987 -0.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6503 -0.3217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1925 -0.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5266 -5.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0688 -5.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2920 -5.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9420 -4.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5448 -3.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2439 -3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6159 -2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6850 0.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0099 0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5893 2.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4203 3.5883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1900 2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 -6.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2624 -5.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4881 -4.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 7 8 2 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 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