MMs01178579 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 1.3028 -0.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -0.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0261 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1961 -1.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 -2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 1.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 2.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 2.2826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0818 2.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0743 3.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3846 1.5522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 0.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0177 -0.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6347 -1.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7612 1.0596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7519 2.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2521 1.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1399 0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6309 0.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2341 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3463 2.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8553 2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9495 4.1349 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4763 3.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2197 5.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 5.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 -1.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0787 -1.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 0.9284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3648 0.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -1.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -1.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7013 -0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6817 -0.9198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -2.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -3.4173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7064 -2.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4032 1.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 0.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 0.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4295 -1.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1466 3.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7191 2.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6573 -1.0839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3411 -0.7882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4269 1.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1451 3.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2763 3.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 4.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4221 6.2682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5942 4.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5054 6.2586 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 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 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 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 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 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END