MMs02728371 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 69 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 0.5440 -1.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 -1.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5706 -3.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -4.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 -3.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 -2.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1761 -5.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -6.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 -5.8193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -4.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 -4.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6239 -6.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 -3.7069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5011 -3.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -2.8692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8964 -3.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 -5.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1882 -5.2681 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2298 -2.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4916 -3.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4200 -5.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8249 -2.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8965 -1.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2298 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4916 -1.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4200 -3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0867 -3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7194 -0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1998 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8870 -1.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8312 -2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -7.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9749 -8.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4352 1.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 -0.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 -0.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -3.2058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 -2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -4.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9827 -3.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5211 -5.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5032 -1.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0441 -1.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7061 -1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5403 -0.3365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5032 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0442 0.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6104 -2.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7762 -4.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2723 -4.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8133 -4.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8839 1.2753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3181 0.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8904 -0.5575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6465 -2.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0436 -7.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 -8.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 -9.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2748 -7.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9956 -9.1815 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 42 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 33 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END