REMARK  Name = BDB063655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.525  -0.119  -0.203  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.463  -0.829  -0.957  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.758  -0.335  -1.135  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        3.131   0.879  -0.554  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        2.190   1.595   0.194  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        0.894   1.096   0.372  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.470   1.436  -0.753  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1        5.613   0.954  -0.246  0.00  0.00    +0.081 C 
ATOM      9  C   LIG    1        5.819  -0.237   0.650  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        4.924  -0.958   1.060  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        7.152  -0.420   0.961  0.00  0.00    -0.135 NA
ATOM     12  C   LIG    1        7.890   0.478   0.421  0.00  0.00    +0.247 C 
ATOM     13  S   LIG    1        7.146   1.695  -0.552  0.00  0.00    -0.029 S 
BRANCH  12  14
ATOM     14  O   LIG    1        9.213   0.454   0.619  0.00  0.00    -0.489 OA
ATOM     15  H   LIG    1        9.411  -0.307   1.190  0.00  0.00    +0.294 HD
ENDBRANCH  12  14
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  O   LIG    1       -0.701  -0.716  -0.112  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.690  -0.065   0.688  0.00  0.00    +0.235 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.698  -2.263   1.371  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -2.999  -0.905   0.702  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.506  -1.172  -0.734  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -3.920   0.099  -1.477  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -4.623   1.126  -0.590  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.175   0.509   0.685  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -4.085  -0.160   1.529  0.00  0.00    +0.010 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5