MMs01106859 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 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 1.2962 -0.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 -2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5866 -3.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8885 -2.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -0.7649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4923 -0.7748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7999 1.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1018 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3980 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0903 -0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6884 -0.7946 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6999 2.2053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2979 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3036 3.6954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0075 4.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7056 3.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6055 4.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9017 3.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6113 5.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8281 6.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3701 8.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8701 8.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4011 6.8267 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 0.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2489 -2.8510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 -4.2099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -2.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 1.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4877 -1.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 2.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1064 3.4152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0858 -1.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2212 0.5341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7638 0.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7040 1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4805 2.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7823 5.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2396 5.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 3.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2995 4.8345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9680 6.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0791 9.2139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1685 9.2250 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 41 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END