REMARK  Name = BDB031033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.315  -0.795   0.172  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1        2.647  -0.696   1.118  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        3.248  -0.389  -0.762  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        4.406   0.072  -0.255  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        5.380   0.484  -1.110  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        5.190   0.446  -2.476  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        6.106   0.864  -3.358  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        3.981  -0.033  -2.909  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        3.005  -0.454  -2.080  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        6.620   0.971  -0.465  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        7.886   0.794  -1.059  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        9.038   1.273  -0.405  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        8.973   1.921   0.829  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1       10.187   2.338   1.349  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1       11.152   2.006   0.523  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.713   2.093   1.430  0.00  0.00    +0.029 A 
ATOM     17  S   LIG    1       10.685   1.189  -0.907  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1        6.564   1.618   0.782  0.00  0.00    +0.012 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -1.538  -2.368   0.223  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -0.772  -2.099   1.347  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        0.481  -1.586   1.316  0.00  0.00    -0.240 NA
ATOM     22  C   LIG    1        1.037  -1.318   0.113  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        0.342  -1.564  -1.064  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -0.949  -2.093  -1.010  0.00  0.00    +0.010 A 
BRANCH  19  25
ATOM     25  C   LIG    1       -2.927  -2.942   0.337  0.00  0.00    +0.121 C 
BRANCH  25  29
ATOM     26  N   LIG    1       -6.121  -0.099   0.343  0.00  0.00    -0.297 NA
ATOM     27  C   LIG    1       -5.056   0.112   1.328  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -4.161  -1.147   1.511  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1       -4.037  -1.993   0.316  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1       -4.197  -1.223  -0.915  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1       -5.557  -0.473  -0.969  0.00  0.00    +0.100 C 
BRANCH  26  33
ATOM     32  C   LIG    1       -8.094   0.873   1.450  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -7.142   0.955   0.250  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.593   2.379   0.112  0.00  0.00    +0.024 C 
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 6