REMARK  Name = BDB012325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.071  -0.184   1.114  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.207   0.364   1.235  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.752  -0.201   2.371  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.240  -1.047   2.882  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.349  -1.040   2.147  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.218  -0.376  -0.827  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.264  -0.624   0.160  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.049   0.056   0.090  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        1.771   0.930  -0.913  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.706   1.127  -1.867  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        3.934   0.501  -1.871  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.092  -1.399  -1.855  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        5.531  -1.058  -0.828  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        6.061  -1.219   0.401  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.590  -0.771   1.128  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.675   1.245   0.340  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.036   1.663   0.469  0.00  0.00    +0.269 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.996   0.652  -0.102  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -4.176   0.339   0.577  0.00  0.00    +0.130 A 
ATOM     20  F   LIG    1       -4.443   0.919   1.756  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -5.090  -0.574   0.058  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -4.833  -1.188  -1.167  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -3.664  -0.882  -1.864  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.752   0.036  -1.338  0.00  0.00    +0.010 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6