MMs01669461 MOE2007 2D CORINA 3.40 0006 02.08.2006 38 40 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 -0.0105 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 -2.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -3.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -4.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 -6.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2519 -6.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 -5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 -4.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -3.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -2.2772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -4.5362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 -3.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8349 -4.4149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8463 -3.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 -2.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -2.3046 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3370 -3.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9375 -4.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4281 -5.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3183 -3.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7178 -2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2271 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6266 -0.8926 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.0287 -6.3908 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -1.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -2.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -6.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 -7.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 -6.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 -5.7362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6011 -0.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2254 -5.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -3.9427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4299 -1.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 M END