MMs01726275 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 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 -1.5000 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2432 1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4865 2.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 3.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 3.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 5.1805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 2.5825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 2.5747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9134 1.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 3.6299 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7310 4.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6347 2.5637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5685 1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0856 2.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4813 4.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4261 5.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 5.0767 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9322 4.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 6.2189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7788 6.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9396 5.6496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2018 6.4600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8211 7.9109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 7.9972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5132 9.2594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2011 10.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6994 10.6631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1407 1.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7450 0.4315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2298 3.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 -1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 -1.0283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 1.3169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 4.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 5.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 6.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 6.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0306 3.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1271 4.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6313 8.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5585 9.9865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 4.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4320 5.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3244 4.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3906 11.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5916 2.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 3.9165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3351 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4357 1.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9409 12.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 7 40 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 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 51 1 0 0 0 0 32 33 2 0 0 0 0 32 52 1 0 0 0 0 34 48 1 0 0 0 0 34 49 1 0 0 0 0 34 53 1 0 0 0 0 50 53 1 0 0 0 0 51 56 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END