REMARK  Name = BDB017729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.283  -0.795  -1.187  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -1.113  -1.853  -0.814  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -2.430  -1.587  -0.434  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.946  -0.281  -0.449  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.354  -0.067  -0.043  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.885   1.218  -0.101  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.639   1.706  -0.959  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -6.230   1.510   0.381  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -7.148   0.319   0.134  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.548  -0.961   0.725  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -5.094  -1.118   0.365  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.528  -2.493   0.413  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.185  -3.451   0.807  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.096   0.767  -0.839  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.240  -2.646  -0.014  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.880  -3.591   0.014  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.774   0.512  -1.218  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  22
ATOM     18  N   LIG    1        4.508   0.672   0.374  0.00  0.00    -0.307 N 
ATOM     19  C   LIG    1        3.316   0.281   1.129  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        2.043   0.352   0.261  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1        2.153  -0.413  -0.988  0.00  0.00    -0.295 N 
ATOM     22  C   LIG    1        1.107  -1.096  -1.597  0.00  0.00    +0.247 C 
ATOM     23  O   LIG    1        1.273  -1.948  -2.466  0.00  0.00    -0.270 OA
ATOM     24  C   LIG    1        3.510  -0.652  -1.483  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1        4.500   0.453  -1.081  0.00  0.00    +0.126 C 
BRANCH  18  28
ATOM     26  C   LIG    1        7.744   1.864   1.116  0.00  0.00    +0.149 A 
ATOM     27  N   LIG    1        6.714   1.486   0.277  0.00  0.00    -0.214 NA
ATOM     28  C   LIG    1        5.660   1.097   0.964  0.00  0.00    +0.162 A 
ATOM     29  S   LIG    1        5.893   1.175   2.685  0.00  0.00    -0.059 S 
ATOM     30  C   LIG    1        7.482   1.763   2.462  0.00  0.00    +0.087 A 
BRANCH  26  32
ATOM     31  N   LIG    1        9.997   2.701   0.143  0.00  0.00    -0.189 NA
ATOM     32  C   LIG    1        8.981   2.324   0.560  0.00  0.00    +0.120 C 
ENDBRANCH  26  32
ENDBRANCH  18  28
ENDBRANCH   1  22
TORSDOF 3