MMs02517442 MOE2007 2D CORINA 3.40 0006 02.08.2006 79 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 0.7557 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 3.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4773 5.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 3.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 2.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2443 1.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 3.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4773 5.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7783 6.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 7.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 6.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 7.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 7.7745 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7103 6.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 5.9923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9144 7.3010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5144 8.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 8.4025 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0477 9.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 9.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 7.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 6.2754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6121 7.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7094 4.8973 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1094 3.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6068 3.6954 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.2068 2.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0965 3.8717 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2556 4.1823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6886 5.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7911 6.4517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9911 6.4517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3832 7.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8728 8.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4649 9.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9545 9.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8520 8.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3416 8.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9337 9.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0362 11.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5466 10.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4233 10.0896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9939 2.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4835 2.8461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0147 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 4.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8356 9.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6045 -1.0366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 -0.6045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 3.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 6.2445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 1.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 5.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0727 6.2576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5191 4.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 8.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 8.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5104 6.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6005 5.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3251 10.2594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 6.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 7.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2969 9.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5330 10.5825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3783 7.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0596 7.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5099 12.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8287 11.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8970 11.1922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 2.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3398 1.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2015 1.8846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 2.1761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7461 3.6184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6365 9.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 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