MMs01887433 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 55 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 1.1265 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5475 0.5102 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2369 1.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -1.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 -0.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2215 2.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6425 1.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9503 2.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0531 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 -0.1146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9370 0.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5239 1.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0042 2.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5144 0.4165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9852 0.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9756 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4464 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4369 -1.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9077 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3880 0.4683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3975 1.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 1.3002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8588 0.7628 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 3.7550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 1.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 -0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -0.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 1.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 2.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -0.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -2.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 -2.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1999 -2.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9858 3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1301 -0.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5488 1.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0102 1.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9506 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4120 -1.5332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0527 -2.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7001 -1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7818 2.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1344 2.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 4.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1622 4.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2498 2.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 29 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 15 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 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 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END