REMARK  Name = BDB021380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.009  -3.718   0.873  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.017  -2.822   0.701  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.463  -1.629   0.821  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.903  -1.730   1.011  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.739  -0.605   1.127  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -1.226   0.594   1.103  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.138   0.706   0.931  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.015  -0.313   0.794  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.204  -3.071   1.079  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.454  -0.008   0.604  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.126   0.903   1.426  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.487   1.172   1.232  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1        5.243   0.549   0.218  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        4.550  -0.381  -0.578  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.188  -0.656  -0.394  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.784   0.854   0.029  0.00  0.00    +0.085 C 
ATOM     17  N   LIG    1        7.014   2.322  -0.141  0.00  0.00    -0.309 NA
ATOM     18  H   LIG    1        6.242   2.783  -0.625  0.00  0.00    +0.123 HD
ATOM     19  C   LIG    1        8.148   2.002  -1.039  0.00  0.00    +0.083 C 
ATOM     20  C   LIG    1        7.469   0.661  -1.345  0.00  0.00    +0.038 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1        0.355  -6.284   0.805  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1        0.214  -5.132   0.837  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -3.101  -0.744   1.279  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.486   0.168   1.521  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.896  -1.362   0.220  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.147  -0.573  -0.037  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.130   0.672  -0.662  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.989   1.495  -1.133  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -4.754   2.530  -1.958  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -6.117   2.595  -1.481  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.305   1.384  -0.868  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.537   0.908  -0.468  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.580  -0.341   0.152  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.398  -1.065   0.359  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -6.481  -2.261   0.959  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 6