MMs01945802 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 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 0.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7521 -1.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2479 1.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8837 -1.2022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3095 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8797 1.2248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5245 -1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8938 -1.0037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0481 0.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1087 -1.8833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9884 -0.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2291 -3.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3237 -2.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1694 -4.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3844 -5.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 -4.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9080 -3.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6930 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8474 -0.6586 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.2300 -6.6268 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6538 -2.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3538 -2.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 2.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 2.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6626 -2.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1971 -2.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 0.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1716 1.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8545 0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 -4.7449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7256 -5.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0035 -2.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 M END