REMARK  Name = BDB063717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.205   1.125  -0.003  0.00  0.00    -0.010 C 
ATOM      2  C   LIG    1        2.226   2.042  -0.728  0.00  0.00    +0.108 C 
ATOM      3  S   LIG    1        0.518   1.409  -0.775  0.00  0.00    -0.131 S 
ATOM      4  C   LIG    1        1.022  -0.198  -1.442  0.00  0.00    +0.169 C 
ATOM      5  N   LIG    1        1.915  -0.812  -0.488  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1        1.152  -1.889  -0.197  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1        1.258  -2.778   0.614  0.00  0.00    -0.273 OA
ATOM      8  CA  LIG    1        0.077  -1.420  -1.224  0.00  0.00    +0.191 C 
ATOM      9  CA  LIG    1        2.967  -0.205   0.135  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   8  10
ATOM     10  N   LIG    1       -1.275  -1.169  -0.676  0.00  0.00    -0.295 N 
ATOM     11  H   LIG    1       -1.470  -1.254   0.318  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -2.298  -0.692  -1.467  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1       -2.147  -0.511  -2.673  0.00  0.00    -0.267 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -3.528  -0.433  -0.753  0.00  0.00    +0.189 A 
ATOM     15  O   LIG    1       -3.585  -0.675   0.596  0.00  0.00    -0.455 OA
ATOM     16  C   LIG    1       -4.840  -0.349   1.013  0.00  0.00    +0.103 A 
ATOM     17  C   LIG    1       -5.119  -0.533   2.451  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -5.593   0.099  -0.050  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -4.750   0.045  -1.186  0.00  0.00    +0.055 A 
ENDBRANCH  12  14
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1        4.822   3.024   0.307  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        4.396   1.778   0.557  0.00  0.00    -0.001 C 
ENDBRANCH   1  21
BRANCH   9  22
ATOM     22  C   LIG    1        3.839  -1.091   0.962  0.00  0.00    +0.352 C 
ATOM     23  O   LIG    1        4.209  -0.900   2.106  0.00  0.00    -0.244 OA
BRANCH  22  24
ATOM     24  OXT LIG    1        4.222  -2.177   0.263  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1        4.705  -2.719   0.920  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   9  22
TORSDOF 5