REMARK  Name = BDB022134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.849  -1.015   0.217  0.00  0.00    -0.202 N 
ATOM      2  C   LIG    1       -0.549  -1.193  -0.261  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.043  -0.609  -1.533  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        0.094  -2.024   0.649  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -0.902  -2.370   1.575  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1       -2.056  -1.747   1.354  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.454  -2.530   0.612  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1        2.492  -1.605   0.560  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        3.852  -2.127   0.421  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        4.945  -1.039   0.471  0.00  0.00    +0.103 C 
ATOM     11  N   LIG    1        4.572   0.129  -0.336  0.00  0.00    -0.297 NA
ATOM     12  C   LIG    1        3.291   0.718   0.102  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.398  -0.202   0.965  0.00  0.00    +0.123 C 
ATOM     14  O   LIG    1        1.660  -3.741   0.632  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.622   1.133  -0.557  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        6.663   0.607  -1.553  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        6.316   1.625   0.718  0.00  0.00    +0.024 C 
ENDBRANCH  11  15
ENDBRANCH   4   7
BRANCH   1  22
ATOM     18  C   LIG    1       -5.936   2.321  -1.873  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.898   1.413  -1.302  0.00  0.00    -0.006 A 
ATOM     20  C   LIG    1       -5.083   0.577  -0.213  0.00  0.00    +0.086 A 
ATOM     21  N   LIG    1       -4.100  -0.196   0.297  0.00  0.00    -0.210 NA
ATOM     22  C   LIG    1       -2.904  -0.186  -0.326  0.00  0.00    +0.252 A 
ATOM     23  N   LIG    1       -2.641   0.568  -1.413  0.00  0.00    -0.219 NA
ATOM     24  C   LIG    1       -3.642   1.343  -1.871  0.00  0.00    +0.120 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -6.335   0.455   0.542  0.00  0.00    +0.038 A 
ATOM     26  S   LIG    1       -7.796  -0.004  -0.236  0.00  0.00    -0.095 S 
ATOM     27  C   LIG    1       -8.675   0.048   1.230  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -7.875   0.372   2.301  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.524   0.592   1.906  0.00  0.00    +0.017 A 
ENDBRANCH  20  25
ENDBRANCH   1  22
TORSDOF 4