REMARK  Name = BDB015853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.112   1.016  -0.839  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -2.159  -0.136  -0.053  0.00  0.00    +0.133 A 
ATOM      3  N   LIG    1       -1.033  -0.725   0.400  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1        0.154  -0.162   0.107  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1        0.295   0.955  -0.625  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -0.844   1.515  -1.078  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.856   3.486  -3.582  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -5.023   2.788  -2.571  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1       -3.404   2.338  -2.923  0.00  0.00    -0.051 S 
ATOM     10  C   LIG    1       -3.314   1.678  -1.334  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -4.435   1.814  -0.648  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -5.421   2.461  -1.362  0.00  0.00    -0.146 NA
ENDBRANCH   1  10
BRANCH   4  13
ATOM     13  C   LIG    1        1.375  -0.815   0.624  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.656  -0.271   0.392  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.826  -0.879   0.878  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.712  -2.061   1.619  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        2.460  -2.622   1.864  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.308  -2.006   1.371  0.00  0.00    +0.011 A 
BRANCH  15  19
ATOM     19  C   LIG    1        5.135  -0.299   0.630  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.475   0.467  -0.467  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1        6.792   0.793  -0.317  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1        7.598   1.584  -1.214  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.345   0.290   0.801  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1        6.337  -0.373   1.374  0.00  0.00    +0.142 A 
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH   2  25
ATOM     25  N   LIG    1       -3.390  -0.770   0.190  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -4.121  -0.077   0.370  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.418  -1.877   1.147  0.00  0.00    +0.066 C 
ATOM     28  C   LIG    1       -3.381  -1.354   2.583  0.00  0.00    +0.027 C 
ATOM     29  C   LIG    1       -4.706  -2.668   0.912  0.00  0.00    +0.027 C 
ENDBRANCH  25  27
ENDBRANCH   2  25
TORSDOF 5