REMARK  Name = BDB046925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.119  -0.791  -0.513  0.00  0.00    +0.116 A 
ATOM      2  C   LIG    1       -0.794   0.197  -0.121  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -2.135  -0.060  -0.427  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -3.138   0.941  -0.027  0.00  0.00    +0.259 A 
ATOM      5  N   LIG    1       -2.653   2.049   0.615  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1       -3.332   2.743   0.892  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1       -1.325   2.238   0.848  0.00  0.00    +0.199 A 
ATOM      8  O   LIG    1       -4.332   0.793  -0.260  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.536  -1.217  -1.093  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -1.556  -2.113  -1.454  0.00  0.00    +0.112 A 
ATOM     11  N   LIG    1       -0.408   1.401   0.513  0.00  0.00    -0.235 NA
ATOM     12  N   LIG    1       -0.248  -1.926  -1.187  0.00  0.00    -0.251 NA
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.373  -0.184   0.925  0.00  0.00    +0.156 A 
ATOM     14  S   LIG    1        4.076  -0.956  -0.436  0.00  0.00    -0.060 S 
ATOM     15  C   LIG    1        2.511  -1.230  -1.074  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1        1.554  -0.696  -0.230  0.00  0.00    +0.100 A 
ATOM     17  N   LIG    1        2.067  -0.110   0.920  0.00  0.00    -0.224 NA
BRANCH  13  18
ATOM     18  N   LIG    1        4.130   0.325   1.912  0.00  0.00    -0.338 N 
ATOM     19  H   LIG    1        5.075   0.595   1.669  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        3.650   1.004   2.491  0.00  0.00    +0.144 HD
ENDBRANCH  13  18
ENDBRANCH   1  16
TORSDOF 2