REMARK  Name = BDB014406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.419  -0.523  -1.215  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1       -0.274   0.016  -0.654  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        0.453  -1.102  -0.253  0.00  0.00    +0.176 A 
ATOM      4  N   LIG    1       -0.224  -2.198  -0.547  0.00  0.00    -0.130 NA
ATOM      5  N   LIG    1       -1.391  -1.835  -1.153  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        0.067   1.383  -0.469  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        1.370   1.827  -0.728  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        1.706   3.168  -0.528  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.748   4.069  -0.071  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.551   3.634   0.186  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.894   2.294  -0.012  0.00  0.00    +0.026 A 
ENDBRANCH   2   6
BRANCH   1  12
ATOM     12  S   LIG    1       -2.635   0.371  -2.071  0.00  0.00    -0.030 S 
BRANCH  12  16
ATOM     13  C   LIG    1       -6.148  -1.040   0.392  0.00  0.00    +0.144 A 
ATOM     14  C   LIG    1       -5.378   0.059   0.739  0.00  0.00    +0.144 A 
ATOM     15  N   LIG    1       -4.322   0.490   0.003  0.00  0.00    -0.246 NA
ATOM     16  C   LIG    1       -4.020  -0.210  -1.121  0.00  0.00    +0.104 A 
ATOM     17  C   LIG    1       -4.750  -1.320  -1.539  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -5.832  -1.747  -0.769  0.00  0.00    +0.037 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -7.949  -2.403   0.866  0.00  0.00    -0.126 OA
ATOM     20  N   LIG    1       -7.266  -1.438   1.235  0.00  0.00    +0.058 N 
ATOM     21  O   LIG    1       -7.468  -0.786   2.268  0.00  0.00    -0.126 OA
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   3  22
ATOM     22  C   LIG    1        1.719  -1.085   0.533  0.00  0.00    +0.305 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.789  -1.091  -0.408  0.00  0.00    -0.484 OA
BRANCH  23  24
ATOM     24  C   LIG    1        4.060  -1.037   0.095  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        5.066  -0.990  -0.875  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        6.410  -0.925  -0.503  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.755  -0.908   0.846  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.758  -0.958   1.818  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.411  -1.023   1.445  0.00  0.00    +0.045 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7