MMs01979715 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 58 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 -1.3047 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -2.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6206 -2.9803 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6599 -3.5803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9140 -2.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9027 -0.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 -0.2463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2165 -1.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3440 -2.6733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7165 -1.4418 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.4567 -0.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9566 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7164 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2164 -1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9565 -0.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1967 1.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6968 1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9370 2.4722 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 -4.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 -5.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -6.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6546 -7.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 -6.7204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 -5.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -4.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.2597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5754 -3.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8800 -2.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 -3.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -4.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 -5.2793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -4.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5921 -1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0437 0.5921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5921 1.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 0.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6561 1.0462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1243 -2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8242 -2.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1565 -0.0941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7889 2.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5889 1.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8168 -4.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3153 -7.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 -8.6801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9713 -4.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2911 -1.0598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8891 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2171 -2.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1967 -5.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -5.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 35 54 1 0 0 0 0 M END