REMARK  Name = BDB003106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.719  -0.575  -0.068  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.449  -1.398  -0.583  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.680   0.179   0.460  0.00  0.00    +0.308 C 
ATOM      4  N   LIG    1        0.512  -0.151  -0.172  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        0.416  -0.641  -1.047  0.00  0.00    +0.156 HD
ATOM      6  O   LIG    1       -0.794   1.013   1.348  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.809   0.305   0.151  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.846  -0.011  -0.742  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.180   0.377  -0.506  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        5.213   0.069  -1.458  0.00  0.00    -0.273 N 
ATOM     11  C   LIG    1        6.578   0.167  -1.176  0.00  0.00    +0.230 C 
ATOM     12  C   LIG    1        6.995   0.373   0.263  0.00  0.00    +0.170 C 
ATOM     13  S   LIG    1        6.084   1.704   1.049  0.00  0.00    -0.114 S 
ATOM     14  O   LIG    1        7.447  -0.020  -2.034  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1        4.835  -0.330  -2.809  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1        4.456   1.103   0.665  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.425   1.425   1.555  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        2.112   1.022   1.304  0.00  0.00    +0.024 A 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     19  C   LIG    1       -5.626   1.819   1.919  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.039   0.658   1.171  0.00  0.00    -0.048 A 
ATOM     21  C   LIG    1       -3.656   0.599   0.938  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -3.097  -0.456   0.215  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -3.943  -1.452  -0.295  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -5.326  -1.410  -0.072  0.00  0.00    -0.048 A 
ATOM     25  C   LIG    1       -6.223  -2.463  -0.654  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.867  -0.341   0.649  0.00  0.00    +0.006 A 
ENDBRANCH   1  22
TORSDOF 2