REMARK  Name = BDB001779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.278   1.587   1.444  0.00  0.00    +0.273 A 
ATOM      2  C   LIG    1       -1.690   1.332   1.191  0.00  0.00    +0.195 A 
ATOM      3  N   LIG    1       -2.474   1.905   2.116  0.00  0.00    -0.172 NA
ATOM      4  S   LIG    1       -1.457   2.668   3.195  0.00  0.00    +0.121 S 
ATOM      5  N   LIG    1        0.024   2.352   2.494  0.00  0.00    -0.153 NA
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1       -2.180   0.625   0.110  0.00  0.00    -0.306 N 
ATOM      7  C   LIG    1       -3.641   0.647  -0.134  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1       -4.260  -0.707   0.238  0.00  0.00    +0.178 C 
ATOM      9  O   LIG    1       -3.749  -1.800  -0.545  0.00  0.00    -0.377 OA
ATOM     10  C   LIG    1       -2.458  -1.536  -1.110  0.00  0.00    +0.178 C 
ATOM     11  C   LIG    1       -1.557  -0.684  -0.201  0.00  0.00    +0.135 C 
ENDBRANCH   2   6
BRANCH   1  12
ATOM     12  O   LIG    1        0.766   1.258   0.656  0.00  0.00    -0.399 OA
BRANCH  12  14
ATOM     13  O   LIG    1        1.116  -0.673   1.872  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1        1.447   0.146   1.027  0.00  0.00    +0.346 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.674  -0.003   0.194  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        3.439  -1.167   0.350  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.595  -1.359  -0.409  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.994  -0.389  -1.327  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.242   0.774  -1.486  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.084   0.971  -0.729  0.00  0.00    +0.015 A 
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 4