REMARK  Name = BDB001539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.728  -0.598   0.900  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1        0.984  -1.530   0.590  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.878   0.202   0.877  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        1.920   1.505   1.333  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1        0.865   2.135   1.864  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1        3.133   2.137   1.260  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1        4.248   1.552   0.781  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        4.143   0.279   0.375  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1        2.990  -0.416   0.419  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1        5.231  -0.428  -0.126  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        4.936  -1.362  -0.370  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        6.579  -0.120  -0.345  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        7.153   1.124  -0.060  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        8.510   1.373  -0.303  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        9.307   0.369  -0.837  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        8.768  -0.874  -1.130  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1        7.413  -1.114  -0.885  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1       10.631   0.567  -1.088  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       10.860   1.476  -0.834  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1       -3.387   0.154   0.259  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -2.447   1.127  -0.090  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.081   0.895   0.105  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -0.626  -0.307   0.656  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -1.583  -1.268   1.024  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -2.951  -1.044   0.833  0.00  0.00    +0.015 A 
BRANCH  20  27
ATOM     26  O   LIG    1       -5.217   1.599   0.162  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -4.833   0.443   0.037  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1       -5.592  -0.652  -0.334  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1       -5.096  -1.512  -0.528  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -6.983  -0.689  -0.569  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -7.838   0.395  -0.365  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -9.209   0.274  -0.616  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.737  -0.933  -1.069  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.894  -2.022  -1.271  0.00  0.00    +0.002 A 
ATOM     35  C   LIG    1       -7.524  -1.900  -1.021  0.00  0.00    +0.023 A 
ENDBRANCH  28  30
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 7