REMARK  Name = BDB006931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110   0.424   0.927  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.478   0.202   0.848  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.361   0.007  -0.233  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        3.672  -0.126   0.247  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        4.748  -0.333  -0.613  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        4.505  -0.416  -1.981  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        3.197  -0.291  -2.472  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        3.736   0.015   1.751  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        4.410  -1.186   2.421  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        4.446   1.317   2.143  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.119  -0.081  -1.595  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        2.235   0.078   2.105  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.439   0.461   2.036  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        2.957  -0.379  -3.884  0.00  0.00    +0.099 C 
ATOM     15  N   LIG    1        2.755  -0.446  -5.024  0.00  0.00    -0.191 NA
ENDBRANCH   7  14
BRANCH   1  16
ATOM     16  C   LIG    1       -0.686   0.620  -0.375  0.00  0.00    +0.181 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.950  -0.035   0.346  0.00  0.00    +0.097 C 
ATOM     18  N   LIG    1       -2.072   1.071  -0.128  0.00  0.00    -0.286 NA
ATOM     19  C   LIG    1       -2.664   1.764  -1.288  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.273   0.888  -2.417  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1       -2.224   0.322  -3.376  0.00  0.00    +0.025 C 
ATOM     22  N   LIG    1       -4.148  -0.185  -1.912  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1       -4.998   0.243  -1.541  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1       -3.511  -0.920  -0.805  0.00  0.00    +0.102 C 
BRANCH  17  25
ATOM     25  C   LIG    1       -4.086   0.542   1.229  0.00  0.00    +0.179 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -4.290  -0.960   3.058  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -4.870  -0.483   1.850  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5