REMARK  Name = BDB051454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.220   0.252   0.386  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.922  -0.170   0.032  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.774  -1.316  -0.742  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -1.419  -1.448  -0.904  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.964  -2.171  -1.439  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.784  -0.419  -0.245  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -3.848  -2.084  -1.200  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.129  -1.653  -0.842  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -1.681   0.370   0.321  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.316  -0.508  -0.064  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.670  -0.228  -0.207  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.572  -1.246  -0.547  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.953  -1.021  -0.497  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.453   0.223  -0.100  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.566   1.246   0.241  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        1.186   1.016   0.190  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.917   0.440  -0.048  0.00  0.00    +0.172 A 
ATOM     18  N   LIG    1        5.493   1.556   0.507  0.00  0.00    -0.200 N 
ATOM     19  H   LIG    1        5.171   1.802   1.440  0.00  0.00    +0.209 HD
ATOM     20  O   LIG    1        6.872   1.285   0.455  0.00  0.00    -0.350 OA
ATOM     21  C   LIG    1        7.006   0.100  -0.227  0.00  0.00    +0.295 A 
ATOM     22  S   LIG    1        8.526  -0.479  -0.532  0.00  0.00    +0.013 S 
ATOM     23  N   LIG    1        5.771  -0.427  -0.517  0.00  0.00    -0.184 NA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  27
ATOM     24  N   LIG    1       -3.369   2.160   1.633  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.506   2.982   2.201  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.428   1.858   1.395  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -4.461   1.459   1.209  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1       -5.595   1.818   1.504  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3