REMARK  Name = BDB063703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.581  -0.380   1.308  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1       -1.483  -1.317   0.939  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.463   0.425   1.422  0.00  0.00    +0.280 C 
ATOM      4  O   LIG    1       -0.575   1.585   1.817  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -5.607   0.625  -1.626  0.00  0.00    -0.010 C 
ATOM      6  C   LIG    1       -4.440   1.548  -1.958  0.00  0.00    +0.108 C 
ATOM      7  S   LIG    1       -2.878   1.067  -1.152  0.00  0.00    -0.131 S 
ATOM      8  C   LIG    1       -3.626   1.032   0.499  0.00  0.00    +0.169 C 
ATOM      9  N   LIG    1       -4.684   0.046   0.491  0.00  0.00    -0.249 N 
ATOM     10  C   LIG    1       -4.121  -0.819   1.365  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -4.401  -1.942   1.712  0.00  0.00    -0.273 OA
ATOM     12  CA  LIG    1       -2.936   0.162   1.597  0.00  0.00    +0.191 C 
ATOM     13  CA  LIG    1       -5.627  -0.113  -0.486  0.00  0.00    +0.126 C 
BRANCH   5  15
ATOM     14  C   LIG    1       -6.854   1.393  -3.669  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -6.677   0.564  -2.630  0.00  0.00    -0.001 C 
ENDBRANCH   5  15
BRANCH  13  16
ATOM     16  C   LIG    1       -6.685  -1.131  -0.214  0.00  0.00    +0.352 C 
ATOM     17  O   LIG    1       -7.075  -2.008  -0.963  0.00  0.00    -0.244 OA
BRANCH  16  18
ATOM     18  OXT LIG    1       -7.215  -0.960   1.013  0.00  0.00    -0.476 OA
ATOM     19  HXT LIG    1       -7.825  -1.720   1.113  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  C   LIG    1        0.795  -0.193   1.049  0.00  0.00    +0.190 A 
ATOM     21  O   LIG    1        1.933   0.566   1.152  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1        2.989  -0.201   0.757  0.00  0.00    +0.143 A 
ATOM     23  C   LIG    1        2.543  -1.454   0.397  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        1.139  -1.452   0.584  0.00  0.00    +0.055 A 
BRANCH  22  25
ATOM     25  C   LIG    1        4.319   0.463   0.798  0.00  0.00    +0.303 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.298  -0.515   0.445  0.00  0.00    -0.484 OA
BRANCH  26  27
ATOM     27  C   LIG    1        6.604  -0.107   0.420  0.00  0.00    +0.123 A 
ATOM     28  C   LIG    1        7.071   1.176   0.706  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        8.440   1.444   0.639  0.00  0.00    +0.044 A 
ATOM     30 CL   LIG    1        9.015   3.029   0.992  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        9.349   0.447   0.289  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        8.884  -0.835   0.003  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        7.517  -1.107   0.069  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   3  20
TORSDOF 8