REMARK  Name = BDB021263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.815   0.349  -0.175  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        2.206  -0.852   0.280  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.833  -0.832   0.428  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.461  -2.056   0.932  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.631  -2.775   1.024  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.053   0.298   0.124  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.625   1.403  -0.274  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.707  -2.026   0.613  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.998   1.397  -0.413  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.726   0.685   2.113  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        5.169   0.699   0.678  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.264   0.529  -0.380  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.775   0.544  -1.685  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        6.138   0.727  -1.898  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        6.953   0.893  -0.794  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        6.502   0.888   0.478  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        1.783  -4.121   1.486  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.871  -5.217   1.863  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.315   0.260   0.269  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.653   1.221   0.266  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.106  -0.502  -0.693  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.537  -0.533  -0.251  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.432   0.498  -0.519  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.228   1.794  -1.210  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.686   2.224  -1.374  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.490   1.546  -0.382  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.741   0.447  -0.051  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.217  -0.611   0.696  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.340  -1.659   0.972  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.021  -1.612   0.503  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.202  -2.634   0.794  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5