D0BU0J Wcorina 11010620303D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 28 29 0 0 0 999 V2000 -0.0165 1.3623 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1624 2.2582 0.0031 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3138 1.7420 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -0.4211 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.6456 0.0158 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -5.7502 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -1.8149 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6514 -4.4930 0.0023 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3514 -6.0623 0.0031 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -2.0920 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2854 1.7868 -0.0102 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0091 3.4665 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5328 -3.4905 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 -6.7666 -0.0152 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 -0.8596 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2825 -5.1209 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 -3.7920 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6735 2.7603 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -2.6191 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7957 -1.2878 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1774 -6.5526 -0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4111 -7.6930 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 -1.0777 1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 -1.7913 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 -0.3465 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3288 -5.3886 0.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 -3.0049 0.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 5 8 1 0 0 0 0 5 6 2 0 0 0 0 7 9 2 0 0 0 0 7 15 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 10 17 2 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 14 18 2 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M CHG 2 3 1 12 -1 M END $$$$