MMs01982513 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 54 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 1.5000 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 -1.2892 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0556 -1.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5113 -2.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -3.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0113 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -3.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7556 -1.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5113 -2.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0113 -2.5719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7556 -1.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 1.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9988 1.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3717 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2214 -0.9514 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6610 2.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9698 0.5524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2655 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2590 2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5548 3.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8571 2.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8636 1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5678 0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5744 -0.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1528 3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6805 2.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2865 1.1874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6258 0.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7749 -3.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 -4.9422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 -4.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -0.6476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2172 3.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5495 4.7637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9054 0.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3744 -0.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5796 -2.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7744 -0.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7573 2.5384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1894 4.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5483 4.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8532 2.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4259 3.7837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 2.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 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 39 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END