MMs02417254 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 82 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 0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 1.3136 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8415 2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 2.6272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 3.9936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 5.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 4.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9738 2.7937 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1329 3.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9847 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5304 0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4499 2.0069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4608 0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9041 3.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3693 3.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 2.6497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8235 5.1874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8126 6.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2887 5.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 6.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2081 7.2597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7321 8.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1863 9.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7568 9.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6406 10.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6159 9.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4831 2.6078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7584 1.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 3.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0337 5.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 5.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 6.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5505 7.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0505 7.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2921 6.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0078 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 -1.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -2.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2937 -0.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 3.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 4.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 5.8016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 5.9798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 5.3623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 4.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5742 0.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 0.0122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3473 1.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3094 3.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8545 4.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6992 7.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0039 7.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9261 5.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3384 4.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4781 5.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9385 10.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6131 10.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 8.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2124 10.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0040 12.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0687 11.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2525 7.8782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7595 8.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7976 9.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0764 3.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 3.4647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1269 4.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 6.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 8.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 8.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 6.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 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