REMARK  Name = BDB001645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.150   0.553  -0.719  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.578  -0.757  -0.597  0.00  0.00    -0.167 N 
ATOM      3  C   LIG    1        1.868  -1.330  -0.591  0.00  0.00    +0.316 C 
ATOM      4  O   LIG    1        1.961  -2.486  -1.007  0.00  0.00    -0.262 OA
ATOM      5  N   LIG    1       -0.524  -1.562  -0.483  0.00  0.00    -0.138 NA
ATOM      6  C   LIG    1       -1.524  -0.680  -0.410  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1       -1.150   0.629  -0.551  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        3.033  -0.624  -0.100  0.00  0.00    +0.194 A 
ATOM      9  O   LIG    1        2.885   0.362   0.838  0.00  0.00    -0.458 OA
ATOM     10  C   LIG    1        4.127   0.810   1.153  0.00  0.00    +0.196 A 
ATOM     11  C   LIG    1        5.082   0.112   0.454  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1        4.380  -0.826  -0.341  0.00  0.00    +0.055 A 
ENDBRANCH   3   8
BRANCH   6  13
ATOM     13  C   LIG    1       -3.015  -1.102  -0.200  0.00  0.00    +0.173 A 
ATOM     14  O   LIG    1       -3.460  -2.387  -0.057  0.00  0.00    -0.460 OA
ATOM     15  C   LIG    1       -4.807  -2.332   0.103  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1       -5.244  -1.030   0.067  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.088  -0.235  -0.128  0.00  0.00    +0.053 A 
ENDBRANCH   6  13
BRANCH   1  19
ATOM     18  C   LIG    1       -0.046   3.244  -1.154  0.00  0.00    +0.093 C 
ATOM     19  S   LIG    1        1.137   1.882  -1.243  0.00  0.00    -0.089 S 
ENDBRANCH   1  19
TORSDOF 3