REMARK  Name = BDB057632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.783  -0.869   0.946  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.965  -0.119   1.026  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -3.143  -0.574   0.418  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.094  -1.798  -0.270  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1       -4.235  -2.271  -0.916  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1       -4.219  -3.152  -1.411  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -5.423  -1.605  -0.943  0.00  0.00    +0.253 A 
ATOM      8  C   LIG    1       -5.497  -0.295  -0.221  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -6.846   0.362  -0.355  0.00  0.00    +0.110 C 
ATOM     10  S   LIG    1       -6.854   2.124   0.076  0.00  0.00    -0.156 S 
ATOM     11  C   LIG    1       -5.873   1.995   1.586  0.00  0.00    +0.074 C 
ATOM     12  C   LIG    1       -4.479   1.453   1.278  0.00  0.00    +0.047 C 
ATOM     13  O   LIG    1       -6.393  -2.077  -1.529  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.924  -2.563  -0.329  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1       -4.427   0.177   0.460  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -0.765  -2.103   0.291  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1        4.151   0.267  -0.450  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        3.010  -0.359  -1.151  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        1.656   0.008  -0.516  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        1.622  -0.281   0.923  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1        0.425  -0.368   1.637  0.00  0.00    +0.247 C 
ATOM     22  O   LIG    1        0.315  -0.071   2.824  0.00  0.00    -0.270 OA
ATOM     23  C   LIG    1        2.780   0.234   1.654  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1        4.116  -0.123   0.977  0.00  0.00    +0.103 C 
BRANCH  17  25
ATOM     25  C   LIG    1        5.416  -0.117  -1.098  0.00  0.00    +0.084 C 
BRANCH  25  27
ATOM     26  C   LIG    1        6.510   2.165  -0.762  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.645   0.658  -0.601  0.00  0.00    +0.012 C 
ENDBRANCH  25  27
ENDBRANCH  17  25
ENDBRANCH   1  21
TORSDOF 3