REMARK  Name = BDB053642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.524  -0.159   0.341  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.224  -1.043   0.724  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.584   0.682   0.243  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.735   0.123   0.664  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        2.793   0.946   0.568  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.784   2.243   0.096  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        4.119   2.671   0.196  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.925   1.728   0.692  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        1.560   2.736  -0.317  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        4.098   0.678   0.909  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        0.468   1.939  -0.236  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.588  -0.582   1.453  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.778  -0.481   2.428  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        7.165  -0.166   1.870  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        7.641  -1.058   0.726  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        6.977  -0.721  -0.603  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        5.601  -1.338  -0.836  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        4.757  -1.676   0.389  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -4.646   0.098  -0.563  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -4.103  -1.049   0.010  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -2.734  -1.112   0.294  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -1.881  -0.028   0.032  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -2.453   1.126  -0.513  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1       -3.823   1.197  -0.799  0.00  0.00    +0.026 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -6.070   0.122  -0.787  0.00  0.00    -0.206 N 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.771  -0.905  -3.288  0.00  0.00    +0.218 C 
ATOM     27  S   LIG    1       -6.580   0.409  -2.395  0.00  0.00    +0.043 S 
ATOM     28  O   LIG    1       -8.006   0.153  -2.452  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1       -6.054   1.679  -2.848  0.00  0.00    -0.155 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  C   LIG    1       -6.824   0.920   0.244  0.00  0.00    +0.146 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -8.090   0.177   0.706  0.00  0.00    +0.098 C 
BRANCH  31  32
ATOM     32  N   LIG    1       -7.807  -1.188   1.169  0.00  0.00    -0.328 NA
ATOM     33  H   LIG    1       -7.313  -1.666   0.414  0.00  0.00    +0.118 HD
ATOM     34  H   LIG    1       -8.690  -1.682   1.285  0.00  0.00    +0.118 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 8