REMARK  Name = BDB060301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402  -2.326   0.893  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.450  -1.278   0.566  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1       -1.853  -1.222   0.661  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -2.432  -2.261   0.990  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.271  -0.255   0.047  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1        1.528  -0.726   0.076  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.632  -2.006   0.582  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.695  -0.025   0.369  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.021  -0.237  -0.050  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -4.861   0.846  -0.319  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -4.380   2.140  -0.162  0.00  0.00    +0.123 A 
ATOM     12  F   LIG    1       -5.185   3.179  -0.418  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.078   2.370   0.266  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.234   1.288   0.537  0.00  0.00    +0.016 A 
ENDBRANCH   3   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.706   0.028  -0.381  0.00  0.00    +0.110 A 
ATOM     16  N   LIG    1        2.502   1.294  -0.836  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1        3.584   1.984  -1.255  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.873   1.480  -1.244  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.069   0.186  -0.776  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.972  -0.553  -0.337  0.00  0.00    +0.031 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     21  N   LIG    1       -0.000  -3.485   1.452  0.00  0.00    -0.327 N 
ATOM     22  H   LIG    1        0.625  -4.281   1.386  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -0.993  -3.727   1.419  0.00  0.00    +0.145 HD
ENDBRANCH   1  21
TORSDOF 3