MMs01058639 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 -0.7579 -1.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0157 -2.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 -3.8834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5157 -2.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2578 -1.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7578 -1.2580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5156 -2.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7735 -3.8561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2736 -3.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 -5.1687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0156 -2.5434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.7577 -1.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2577 -1.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1320 -0.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5613 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5705 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1467 -2.4389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.7893 -2.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6416 -4.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8604 -5.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2270 -4.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3748 -3.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1559 -2.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3036 -0.7299 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -11.6598 1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 -1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -2.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6515 -0.2316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 -6.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3315 -5.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6276 -0.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9589 -0.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5483 -4.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7422 -6.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2021 -5.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4680 -2.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5208 1.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2821 2.5509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7988 1.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END