REMARK  Name = BDB001608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -1.808   0.317  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.732  -0.832   0.283  0.00  0.00    -0.169 N 
ATOM      3  C   LIG    1        2.087  -0.858   0.705  0.00  0.00    +0.287 C 
ATOM      4  O   LIG    1        2.456  -1.892   1.261  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.185   0.308  -0.236  0.00  0.00    -0.138 NA
ATOM      6  C   LIG    1       -1.080  -0.044  -0.475  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1       -1.387  -1.333  -0.150  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.007   0.272   0.509  0.00  0.00    +0.078 A 
ATOM      9  S   LIG    1        4.481   0.283   1.407  0.00  0.00    -0.092 S 
ATOM     10  C   LIG    1        4.985   1.760   0.718  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.071   2.244  -0.187  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.937   1.386  -0.311  0.00  0.00    +0.021 A 
ENDBRANCH   3   8
BRANCH   6  13
ATOM     13  C   LIG    1       -2.129   0.940  -1.084  0.00  0.00    +0.173 A 
ATOM     14  O   LIG    1       -1.879   2.239  -1.434  0.00  0.00    -0.460 OA
ATOM     15  C   LIG    1       -3.037   2.753  -1.922  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1       -4.034   1.808  -1.895  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -3.449   0.637  -1.354  0.00  0.00    +0.053 A 
ENDBRANCH   6  13
BRANCH   1  19
ATOM     18  C   LIG    1       -1.722  -4.091   0.665  0.00  0.00    +0.093 C 
ATOM     19  S   LIG    1       -0.049  -3.442   0.861  0.00  0.00    -0.089 S 
ENDBRANCH   1  19
TORSDOF 3