D0T4HS Wcorina 11010620263D 1 1.00000 0.00000 0 CORINA evaluation license 3.40 0067 02.08.2006 34 35 0 0 0 999 V2000 -0.0108 1.3440 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 0.0024 0.0449 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1227 2.0669 0.1133 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -0.0160 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1776 -0.6947 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 1.4525 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2652 -0.7290 0.0335 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0805 -0.3895 1.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 -0.2892 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5699 -0.2916 -0.6359 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3999 0.2448 0.8072 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6496 -0.7385 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 1.9217 0.1333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 2.1009 0.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -0.0620 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -0.9692 -0.0242 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.4903 -0.1767 1.6291 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4559 0.6437 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8095 0.5330 -1.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0774 -1.8017 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 3.0350 0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1685 -1.7737 -0.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 -1.2975 1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5317 0.3195 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 0.7118 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -1.0004 -1.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -1.3023 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3227 1.3321 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 -1.8171 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 1.0065 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 0.0823 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1152 1.6715 -1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3954 0.3668 -2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4288 1.0995 -1.4968 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 13 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 5 2 0 0 0 0 5 22 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 17 1 0 0 0 0 11 28 1 0 0 0 0 12 15 2 0 0 0 0 12 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$