REMARK  Name = BDB053786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059  -0.539  -0.386  0.00  0.00    +0.138 A 
ATOM      2  C   LIG    1       -1.274  -0.648  -0.176  0.00  0.00    +0.103 A 
ATOM      3  N   LIG    1       -1.834  -1.939  -0.117  0.00  0.00    -0.194 N 
ATOM      4  C   LIG    1       -1.051  -3.090  -0.300  0.00  0.00    +0.253 A 
ATOM      5  N   LIG    1       -1.807  -4.156  -0.175  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -3.041  -3.643   0.068  0.00  0.00    +0.247 A 
ATOM      7  N   LIG    1        0.281  -3.013  -0.578  0.00  0.00    -0.217 NA
ATOM      8  N   LIG    1       -3.119  -2.316   0.114  0.00  0.00    -0.152 NA
ATOM      9  C   LIG    1        0.779  -1.816  -0.627  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.165   0.517  -0.008  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.530   1.296  -1.116  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.369   2.400  -0.954  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.854   2.729   0.310  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.502   1.956   1.415  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.661   0.853   1.258  0.00  0.00    +0.010 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     16  O   LIG    1        0.483   1.836   0.635  0.00  0.00    -0.164 OA
ATOM     17  S   LIG    1        0.876   0.980  -0.469  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1        0.805   1.459  -1.837  0.00  0.00    -0.164 OA
BRANCH  17  19
ATOM     19  C   LIG    1        2.592   0.602  -0.149  0.00  0.00    +0.094 A 
ATOM     20  C   LIG    1        3.521   0.625  -1.195  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        4.855   0.322  -0.928  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.257   0.012   0.372  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.330   0.014   1.416  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.993   0.315   1.161  0.00  0.00    +0.027 A 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3