REMARK  Name = BDB063344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.158  -0.326  -1.777  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        2.911   0.037  -1.302  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        2.055  -1.038  -1.553  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        0.704  -0.947  -1.157  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.224   0.219  -0.531  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        1.113   1.271  -0.287  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        2.817  -2.049  -2.198  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        2.460   1.203  -0.667  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.102  -1.580  -2.335  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.194   0.331  -0.106  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -1.625   0.826   1.156  0.00  0.00    +0.173 A 
ATOM     12  N   LIG    1       -2.980   0.885   1.377  0.00  0.00    -0.253 N 
ATOM     13  C   LIG    1       -3.123   1.413   2.627  0.00  0.00    +0.232 A 
ATOM     14  N   LIG    1       -1.942   1.645   3.153  0.00  0.00    -0.137 NA
ATOM     15  C   LIG    1       -3.936   0.478   0.437  0.00  0.00    +0.203 A 
ATOM     16  N   LIG    1       -3.534   0.041  -0.727  0.00  0.00    -0.223 NA
ATOM     17  N   LIG    1       -0.994   1.274   2.224  0.00  0.00    -0.129 NA
ATOM     18  C   LIG    1       -2.175  -0.011  -0.970  0.00  0.00    +0.126 A 
BRANCH  15  19
ATOM     19  N   LIG    1       -5.271   0.555   0.765  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1       -5.532   0.531   1.746  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -6.288  -0.064  -0.071  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.666   0.098   0.473  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1       -7.826  -0.156   1.807  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1       -9.138   0.048   2.094  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -9.823   0.431   0.965  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -8.873   0.466  -0.084  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   5  10
BRANCH   1  27
ATOM     27  C   LIG    1        5.361   0.500  -1.750  0.00  0.00    +0.157 C 
BRANCH  27  31
ATOM     28  F   LIG    1        6.709  -0.029   2.921  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.980  -0.211   1.622  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.065   0.219   0.665  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        6.338   0.038  -0.699  0.00  0.00    -0.025 A 
ATOM     32  C   LIG    1        7.543  -0.583  -1.069  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        8.454  -1.011  -0.099  0.00  0.00    +0.003 A 
ATOM     34  C   LIG    1        8.171  -0.823   1.252  0.00  0.00    +0.038 A 
ENDBRANCH  27  31
ENDBRANCH   1  27
TORSDOF 6