REMARK  Name = BDB004557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.694   0.349  -2.386  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.607   0.021  -1.961  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.651   0.944  -2.061  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -1.390   2.203  -2.615  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.103   2.542  -3.037  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.936   1.621  -2.917  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.974   0.679  -1.651  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -3.634   1.431  -1.778  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -3.426  -0.403  -0.909  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -4.806  -0.372  -0.812  0.00  0.00    -0.267 N 
ATOM     11  H   LIG    1       -5.297   0.257  -1.433  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -2.708  -1.259  -0.407  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -5.643  -1.242  -0.079  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -7.025  -1.094  -0.255  0.00  0.00    +0.145 A 
ATOM     15  F   LIG    1       -7.485  -0.157  -1.100  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1       -7.940  -1.895   0.423  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -7.474  -2.868   1.303  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -6.101  -3.026   1.496  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.188  -2.216   0.810  0.00  0.00    +0.026 A 
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1        1.817  -0.653  -2.235  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.253  -0.744  -0.845  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.454  -0.668  -0.221  0.00  0.00    +0.148 HD
BRANCH  21  26
ATOM     23  C   LIG    1        5.062   1.095   2.652  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        4.662   1.067   1.299  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        3.657   0.149   0.934  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        3.256   0.151  -0.420  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1        3.840   0.943  -1.333  0.00  0.00    -0.220 NA
ATOM     28  C   LIG    1        4.786   1.769  -0.892  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1        3.105  -0.723   1.908  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        3.516  -0.683   3.233  0.00  0.00    +0.002 A 
ATOM     31  N   LIG    1        5.214   1.879   0.370  0.00  0.00    -0.235 NA
ATOM     32  C   LIG    1        4.491   0.228   3.604  0.00  0.00    +0.015 A 
BRANCH  23  36
ATOM     33  N   LIG    1        6.689   2.910   2.319  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1        6.442   2.913   1.333  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        7.416   3.521   2.659  0.00  0.00    +0.145 HD
ATOM     36  C   LIG    1        6.110   2.026   3.179  0.00  0.00    +0.244 C 
ATOM     37  O   LIG    1        6.452   2.008   4.358  0.00  0.00    -0.270 OA
ENDBRANCH  23  36
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6