REMARK  Name = BDB012666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.776   0.245   0.140  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.867   1.261   0.257  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  11
ATOM      3  C   LIG    1       -2.919  -2.750  -0.149  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -2.192  -1.510  -0.014  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.733  -0.260   0.136  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1       -1.633   0.591   0.218  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.867   1.966   0.380  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -3.173   2.453   0.454  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -4.254   1.579   0.368  0.00  0.00    +0.005 A 
ATOM     10  F   LIG    1       -0.844   2.828   0.465  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.487  -0.251   0.103  0.00  0.00    +0.155 A 
ATOM     12  C   LIG    1       -4.056   0.202   0.206  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -0.850  -1.528  -0.041  0.00  0.00    -0.155 NA
ENDBRANCH   1  11
BRANCH   1  14
ATOM     14  C   LIG    1        2.038  -0.392   0.046  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        3.246   0.337   0.111  0.00  0.00    +0.083 A 
ATOM     16  C   LIG    1        4.484  -0.315   0.016  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.496  -1.685  -0.143  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.379  -2.428  -0.211  0.00  0.00    -0.261 NA
ATOM     19  C   LIG    1        2.191  -1.770  -0.116  0.00  0.00    +0.134 A 
BRANCH  15  20
ATOM     20  C   LIG    1        3.218   1.812   0.282  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1        2.215   2.497   0.378  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        4.441   2.373   0.327  0.00  0.00    -0.477 OA
ATOM     23  H   LIG    1        4.259   3.330   0.440  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   1  14
TORSDOF 4