MMs00200017 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 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 0.7453 -1.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 -2.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 -2.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -1.3237 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1452 -0.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4905 -2.6255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9905 -2.6309 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1419 -3.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7452 -1.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9999 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0077 1.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3758 0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2135 -1.0281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6775 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6830 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9738 0.4536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8559 -1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9528 -2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4367 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1915 -0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6481 0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2161 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7012 2.5465 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -0.0274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7357 -3.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4810 -5.2345 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0375 -3.1874 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4339 -4.6779 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0414 -0.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3867 -3.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 -3.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 1.0206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.0305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 -3.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6945 -3.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7105 -0.6841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2527 -2.0792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9594 -2.7381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3878 -3.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3431 -3.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5822 -2.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0682 -1.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 0.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8353 1.0232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7414 2.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3391 2.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8193 2.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9037 1.0140 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 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 27 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 M END