REMARK  Name = BDB012942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.337  -0.260  -0.564  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.247   0.438  -1.382  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        0.984   0.192  -0.652  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.215   0.471  -1.230  0.00  0.00    +0.267 C 
ATOM      5  O   LIG    1        2.266   1.018  -2.336  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.709  -0.361   0.666  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.789  -0.166   0.861  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.466   0.113  -0.522  0.00  0.00    +0.147 A 
ATOM      9  N   LIG    1        3.541  -0.604   0.616  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1        4.853  -0.699   0.875  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        5.142  -1.210   1.702  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        5.649  -0.075  -0.045  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        4.776   0.457  -0.967  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        7.143  -0.049   0.032  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1        7.623   0.667   1.294  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        7.731  -1.458  -0.053  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -3.786  -0.328  -0.289  0.00  0.00    +0.251 C 
ATOM     18  N   LIG    1       -2.649   0.342  -0.699  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1       -2.704   1.347  -0.829  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -3.761  -1.484   0.117  0.00  0.00    -0.270 OA
BRANCH  17  22
ATOM     21  C   LIG    1       -6.273  -0.186  -0.651  0.00  0.00    +0.135 A 
ATOM     22  C   LIG    1       -5.059   0.438  -0.335  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1       -5.074   1.802  -0.027  0.00  0.00    +0.139 A 
ATOM     24  F   LIG    1       -3.940   2.448   0.287  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -6.260   2.536  -0.039  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -7.460   1.909  -0.369  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -7.465   0.551  -0.685  0.00  0.00    +0.046 A 
BRANCH  21  29
ATOM     28  C   LIG    1       -6.776  -2.331   0.015  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -6.322  -1.496  -1.051  0.00  0.00    -0.494 OA
ENDBRANCH  21  29
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 5