MMs02453492 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 80 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 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -1.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2571 1.2866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2714 3.8847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8714 2.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 5.1878 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9286 6.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 6.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8857 7.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7857 6.4745 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9857 6.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5285 5.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1285 4.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7714 3.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 5.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 3.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2713 3.8517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6713 4.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 2.5485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8142 2.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5141 2.5403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7141 2.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2713 3.8352 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8713 4.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5284 5.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0284 5.1466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7712 3.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5284 5.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 6.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0284 5.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2570 1.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7570 1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5141 2.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4998 -0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 1.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 -1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 -0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 7.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 9.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 10.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 9.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5428 7.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 7.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 9.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 6.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 5.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7286 3.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 3.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 1.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 3.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 3.4557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 2.6770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6583 5.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3265 6.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0218 3.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2283 5.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0350 6.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4573 -0.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0941 -1.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5423 0.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 -1.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6998 -0.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5064 1.1422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3066 10.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 9.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2934 7.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 7.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 5.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 5.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 5.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4285 3.9160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 56 1 0 0 0 0 5 57 1 0 0 0 0 6 7 1 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