REMARK  Name = BDB047724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647   0.211  -0.070  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -0.136  -0.892   0.171  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        0.200  -1.829   0.329  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.452  -0.506   0.162  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.401   0.859  -0.092  0.00  0.00    +0.089 A 
ATOM      6  C   LIG    1       -2.597   1.586  -0.170  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -3.809   0.906   0.013  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.828  -0.468   0.267  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.643  -1.210   0.349  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.104   1.283  -0.232  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        4.302  -0.568  -0.098  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.922  -0.911   0.030  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.083   0.178  -0.131  0.00  0.00    +0.054 A 
ATOM     14  S   LIG    1        2.988   1.606  -0.438  0.00  0.00    -0.094 S 
ATOM     15  C   LIG    1        4.477   0.772  -0.354  0.00  0.00    +0.046 A 
ENDBRANCH   1  13
TORSDOF 1