REMARK  Name = BDB031521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.279  -0.831  -1.312  0.00  0.00    -0.294 NA
ATOM      2  C   LIG    1       -1.086  -1.316  -1.587  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -2.034  -0.527  -0.672  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -1.247   0.737  -0.324  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.075   0.607  -1.070  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.866  -1.522  -0.148  0.00  0.00    +0.122 C 
BRANCH   6  16
ATOM      7  C   LIG    1        7.233  -0.324  -0.196  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1        6.830  -0.697  -1.624  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1        7.656  -0.730  -2.523  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1        5.502  -0.986  -1.809  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1        5.208  -1.233  -2.744  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.587  -0.936  -0.754  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        5.040  -0.580   0.527  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1        4.124  -0.532   1.575  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        2.784  -0.832   1.342  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        2.321  -1.179   0.069  0.00  0.00    +0.004 A 
ATOM     17  F   LIG    1        1.927  -0.781   2.372  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        3.245  -1.239  -0.987  0.00  0.00    +0.035 A 
ATOM     19  N   LIG    1        6.386  -0.269   0.791  0.00  0.00    -0.245 NA
BRANCH   7  21
ATOM     20  C   LIG    1        8.958   1.465  -0.335  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1        8.684   0.020   0.040  0.00  0.00    +0.057 C 
ENDBRANCH   7  21
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  22
ATOM     22  O   LIG    1       -3.230  -0.229  -1.392  0.00  0.00    -0.486 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.337   0.147  -0.691  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -5.492   0.344  -1.443  0.00  0.00    +0.157 A 
ATOM     25  N   LIG    1       -6.689   0.721  -0.935  0.00  0.00    -0.247 NA
ATOM     26  C   LIG    1       -6.742   0.922   0.403  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1       -5.642   0.759   1.241  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -4.424   0.365   0.680  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -8.066   1.345   0.964  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1       -8.421   0.758   2.171  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1       -7.935  -0.083   2.451  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       -9.733   0.988   2.724  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1       -8.781   2.148   0.375  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6