D0OR2S Wcorina 11010620253D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 29 29 0 0 0 999 V2000 -0.0163 1.3499 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 0.8057 -0.0129 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 1.7475 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -0.3272 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 2.2354 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7482 3.4942 1.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4941 2.7300 1.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 3.9861 2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1368 -2.0598 -0.0289 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 3.3551 -0.8407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 4.8959 3.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3402 4.7752 2.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 2.7994 3.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8397 -0.6806 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 1.6694 -0.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 4.2543 0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 1.8759 2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6705 3.3695 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 3.9051 -0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 5.7413 2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 5.2609 4.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 4.3338 3.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1531 4.1270 2.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 5.1402 3.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2524 5.6206 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 2.2372 3.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 3.1644 4.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9655 2.1512 3.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M END $$$$