REMARK  Name = BDB057102
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.738   0.563  -2.479  0.00  0.00    +0.196 A 
ATOM      2  N   LIG    1        0.221  -0.174  -1.489  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -0.958   0.200  -0.981  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.641   1.283  -1.509  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.049   1.996  -2.530  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        0.147   1.635  -3.021  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.517  -0.536   0.091  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -1.693   0.295   1.305  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -2.287  -0.536   2.469  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -1.577  -1.796   2.787  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -0.292  -1.542   3.442  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.407  -2.571   1.537  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.771  -1.791   0.362  0.00  0.00    +0.122 C 
ENDBRANCH   3   7
BRANCH   5  14
ATOM     14  N   LIG    1       -1.611   3.113  -3.144  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.024   3.373  -3.930  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1       -2.655   3.932  -2.928  0.00  0.00    +0.146 A 
ATOM     17  N   LIG    1       -3.003   4.857  -3.829  0.00  0.00    -0.158 NA
ATOM     18  N   LIG    1       -4.059   5.478  -3.291  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -4.500   6.220  -3.825  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1       -4.392   5.015  -2.051  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -5.506   5.581  -1.262  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -3.483   4.013  -1.784  0.00  0.00    +0.068 A 
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   1  23
ATOM     23  S   LIG    1        2.336   0.113  -3.127  0.00  0.00    -0.050 S 
BRANCH  23  27
ATOM     24  C   LIG    1        4.026  -2.481   0.284  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.742  -3.036  -0.969  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        3.232  -2.244  -2.006  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        3.005  -0.881  -1.804  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        3.320  -0.319  -0.564  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        3.818  -1.115   0.476  0.00  0.00    +0.024 A 
BRANCH  24  32
ATOM     30  C   LIG    1        5.381  -4.217   3.351  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        4.802  -3.042   2.598  0.00  0.00    +0.214 C 
ATOM     32  N   LIG    1        4.523  -3.350   1.278  0.00  0.00    -0.286 N 
ATOM     33  H   LIG    1        4.673  -4.309   0.991  0.00  0.00    +0.155 HD
ATOM     34  O   LIG    1        4.601  -1.972   3.162  0.00  0.00    -0.276 OA
ENDBRANCH  24  32
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 6