REMARK  Name = BDB031514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.982   2.317   1.046  0.00  0.00    +0.189 C 
ATOM      2  C   LIG    1       -0.744   1.905   0.228  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1        0.257   2.983   0.354  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -0.556   4.193   0.546  0.00  0.00    +0.088 C 
ATOM      5  C   LIG    1       -1.714   3.772   1.434  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1   6
ATOM      6  O   LIG    1       -3.172   2.291   0.252  0.00  0.00    -0.486 OA
BRANCH   6  11
ATOM      7  C   LIG    1       -5.334  -1.124  -0.486  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1       -4.180  -1.269   0.272  0.00  0.00    +0.157 A 
ATOM      9  F   LIG    1       -3.773  -2.453   0.747  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.408  -0.143   0.552  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1       -3.809   1.099   0.070  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -4.980   1.151  -0.684  0.00  0.00    +0.157 A 
ATOM     13  N   LIG    1       -5.758   0.080  -0.979  0.00  0.00    -0.244 NA
BRANCH   7  17
ATOM     14  C   LIG    1       -8.293  -2.959  -1.948  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.275  -1.996  -1.627  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -7.416  -1.011  -1.835  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -6.202  -2.300  -0.811  0.00  0.00    +0.265 C 
ATOM     18  O   LIG    1       -5.981  -3.423  -0.377  0.00  0.00    -0.268 OA
ENDBRANCH   7  17
ENDBRANCH   6  11
ENDBRANCH   1   6
BRANCH   3  19
ATOM     19  C   LIG    1        1.183   2.766   1.480  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.190   1.673   1.211  0.00  0.00    -0.013 A 
ATOM     21  C   LIG    1        2.889   1.595  -0.001  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.820   0.581  -0.180  0.00  0.00    +0.068 A 
ATOM     23  C   LIG    1        4.037  -0.321   0.855  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1        5.013  -1.387   0.666  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        5.705  -1.540  -0.482  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        5.469  -0.527  -1.587  0.00  0.00    +0.253 A 
ATOM     27  O   LIG    1        6.092  -0.576  -2.644  0.00  0.00    -0.268 OA
ATOM     28  N   LIG    1        3.395  -0.271   2.041  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1        4.538   0.456  -1.371  0.00  0.00    -0.321 N 
ATOM     30  H   LIG    1        4.400   1.110  -2.129  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1        2.492   0.727   2.191  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1        6.706  -2.612  -0.680  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1        6.455  -3.659  -1.737  0.00  0.00    +0.009 C 
ATOM     34  C   LIG    1        6.394  -4.036  -0.288  0.00  0.00    +0.009 C 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6