REMARK  Name = BDB040727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.424  -0.788   1.095  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.563   0.100   1.824  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.603  -0.825   1.428  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        0.338  -1.305   0.305  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.403  -0.033  -0.196  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.858   0.628   0.905  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        5.602   1.514   1.583  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.554   0.386   1.335  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        2.741  -0.532   0.662  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.285  -1.213  -0.432  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.592  -0.959  -0.850  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        5.070  -1.638  -1.903  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1       10.556   1.996  -0.465  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        9.447   1.469  -0.469  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        8.326   2.177  -0.824  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        8.476   3.146  -1.070  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        7.048   1.705  -1.005  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1        6.183   2.439  -1.479  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.814   0.233  -0.672  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1        7.844  -0.263   0.349  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        9.249   0.004  -0.167  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1       -1.829  -0.135   0.990  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -2.035   0.819   1.252  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -2.778  -0.742   0.223  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.723  -1.888  -0.194  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.793   0.126  -0.009  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.864  -0.414  -0.819  0.00  0.00    +0.212 C 
ATOM     28  C   LIG    1       -6.112   0.482  -0.942  0.00  0.00    +0.154 C 
ATOM     29  N   LIG    1       -6.899  -0.703  -0.661  0.00  0.00    -0.294 N 
ATOM     30  C   LIG    1       -8.214  -0.838  -0.310  0.00  0.00    +0.219 C 
ATOM     31  O   LIG    1       -8.676  -1.823   0.252  0.00  0.00    -0.275 OA
ATOM     32  C   LIG    1       -5.773  -1.478  -0.169  0.00  0.00    +0.154 C 
BRANCH  30  33
ATOM     33  C   LIG    1       -9.086   0.309  -0.679  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1      -10.360   0.581   0.090  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -9.191   1.507   0.239  0.00  0.00    +0.013 C 
ENDBRANCH  30  33
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 6