MMs01106874 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 62 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 0.7584 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0168 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 2.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 2.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2415 1.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 0.0291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7415 1.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 0.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4831 2.6464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 2.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2414 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9830 2.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 3.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7246 3.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9662 5.2735 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 2.6852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2413 1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7413 1.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4829 2.7046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7245 3.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2245 3.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9829 2.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7244 4.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7412 1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2340 1.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5553 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2612 -0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1400 0.0458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 -0.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 -1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -2.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5765 -3.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -3.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0416 1.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0764 3.6702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 -1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8764 3.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1481 0.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 0.3363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1179 4.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1164 0.9733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4573 0.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5405 0.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8715 0.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8495 4.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5085 5.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0943 4.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4253 5.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0312 2.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6547 -0.6733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1434 -2.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 48 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 M END