REMARK  Name = BDB028481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.672   1.242  -2.093  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.169   0.266  -1.542  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.792  -0.572  -0.595  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1        3.069  -0.234  -0.004  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.835  -1.216   0.660  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        5.088  -0.893   1.215  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        5.575   0.408   1.158  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        4.813   1.395   0.549  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.365  -2.640   0.766  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        1.853  -2.676   0.775  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        3.574   1.077  -0.019  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.333  -1.964  -0.459  0.00  0.00    +0.115 C 
ATOM     13  N   LIG    1       -0.133  -0.090  -1.831  0.00  0.00    -0.296 N 
ATOM     14  H   LIG    1       -0.660  -0.363  -1.008  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -0.938   0.721  -2.728  0.00  0.00    +0.138 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.306   2.119  -2.188  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.470   2.595  -2.880  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.561   3.540  -2.668  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.526   2.189  -0.651  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.198   1.020  -0.038  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.030   1.069   1.435  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -2.761  -0.078   2.069  0.00  0.00    -0.023 A 
ATOM     23  C   LIG    1       -3.811  -0.718   1.441  0.00  0.00    -0.005 A 
ATOM     24  S   LIG    1       -4.489  -1.965   2.371  0.00  0.00    -0.101 S 
ATOM     25  C   LIG    1       -3.387  -1.672   3.649  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1       -4.279  -0.380   0.064  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1       -2.520  -0.640   3.361  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -3.634   0.947  -0.399  0.00  0.00    +0.090 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH  15  16
ENDBRANCH  13  15
TORSDOF 5