MMs02412599 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 -0.4503 -1.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 -2.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -3.8578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8587 -3.4074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8725 -1.9075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -4.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8934 -5.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0987 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4746 -6.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6452 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 -3.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -2.2126 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9282 -8.1737 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4379 -8.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4184 -8.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -5.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9425 -2.6223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -1.3163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1804 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -2.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4423 -2.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 -1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4183 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9183 0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6802 -1.2609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4422 -2.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4181 0.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9181 0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6560 1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1560 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9179 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 -1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6801 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4179 0.1006 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4040 1.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4318 -1.3994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 -0.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 0.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -6.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4389 -6.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7459 -4.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2249 -5.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -3.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 -3.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 1.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 1.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8086 1.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0464 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7463 2.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7896 -2.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0897 -2.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 -9.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9178 0.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5082 1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 -10.3783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 54 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 19 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 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 52 1 0 0 0 0 34 53 1 0 0 0 0 35 36 2 0 0 0 0 35 37 2 0 0 0 0 35 55 1 0 0 0 0 54 57 1 0 0 0 0 55 56 1 0 0 0 0 M END