REMARK  Name = BDB012672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.505   0.706  -0.137  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        1.057   2.041  -0.379  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.320   2.013  -0.163  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.136   3.146  -0.311  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.513   4.339  -0.686  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.859   4.385  -0.901  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        1.423   5.547  -1.259  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -0.591   0.714   0.186  0.00  0.00    -0.262 N 
ATOM      9  C   LIG    1        1.664   3.257  -0.755  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.488  -0.086   0.208  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.810   0.358  -0.244  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1        3.462   1.090  -0.541  0.00  0.00    +0.154 HD
BRANCH  11  14
ATOM     13  C   LIG    1        4.852  -1.005  -0.127  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        3.448  -0.902  -0.187  0.00  0.00    +0.065 A 
ATOM     15  C   LIG    1        2.768  -2.116  -0.115  0.00  0.00    +0.134 A 
ATOM     16  N   LIG    1        3.359  -3.341  -0.050  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1        4.703  -3.380  -0.057  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        5.492  -2.250  -0.091  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     19  O   LIG    1        5.366   1.214  -0.790  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        5.671   0.229  -0.137  0.00  0.00    +0.339 C 
BRANCH  20  21
ATOM     21  O   LIG    1        6.739   0.184   0.686  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.741  -0.559   1.319  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   8  23
ATOM     23  C   LIG    1       -1.889   0.148   0.509  0.00  0.00    +0.149 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.554  -0.460  -0.721  0.00  0.00    +0.058 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.922  -1.003  -0.394  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1       -5.066  -0.215  -0.580  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.327  -0.714  -0.253  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.457  -2.001   0.266  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.325  -2.791   0.458  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.063  -2.295   0.132  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 7