REMARK  Name = BDB012283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.103  -1.863   0.588  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -1.141  -1.672  -0.032  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.713  -2.931  -0.120  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.828  -3.793   0.531  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.247  -3.163   0.990  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.763  -0.401  -0.404  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.968   0.617   0.542  0.00  0.00    +0.135 A 
ATOM      8  F   LIG    1       -1.566   0.445   1.810  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.578   1.817   0.195  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1       -3.002   2.000  -1.113  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -3.599   3.147  -1.458  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.825   1.006  -2.071  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1       -2.210  -0.198  -1.718  0.00  0.00    +0.015 A 
ENDBRANCH   2   6
BRANCH   1  16
ATOM     14  C   LIG    1        2.400   1.060   0.300  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        1.309   0.219   0.057  0.00  0.00    +0.063 A 
ATOM     16  C   LIG    1        1.201  -0.951   0.792  0.00  0.00    +0.155 A 
ATOM     17  N   LIG    1        2.155  -1.302   1.702  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        3.179  -0.457   1.937  0.00  0.00    +0.114 A 
ATOM     19  C   LIG    1        3.343   0.738   1.271  0.00  0.00    +0.035 A 
BRANCH  14  21
ATOM     20  O   LIG    1        1.517   2.973  -0.782  0.00  0.00    -0.245 OA
ATOM     21  C   LIG    1        2.494   2.311  -0.482  0.00  0.00    +0.337 C 
BRANCH  21  22
ATOM     22  O   LIG    1        3.752   2.610  -0.866  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        4.412   1.907  -0.719  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 4