REMARK  Name = BDB012220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.447   0.614  -0.052  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.891   1.686   0.168  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.471   1.871   0.084  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.858   2.730   0.455  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.379   0.759  -0.163  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.643  -0.025   1.129  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        2.654  -1.145   0.908  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        3.969  -0.622   0.316  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1        3.691   0.141  -0.984  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        2.689   1.271  -0.772  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        4.788  -1.764   0.049  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.147  -1.637   0.073  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        6.840  -2.845  -0.074  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        8.235  -2.873  -0.072  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        8.937  -1.684   0.073  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1       10.276  -1.702   0.075  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        8.267  -0.475   0.215  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        6.869  -0.449   0.214  0.00  0.00    +0.048 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.645   2.953   0.531  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.143   2.713   0.731  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.876   2.383  -0.575  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.745   1.154  -0.428  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -4.085  -0.040  -0.312  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.064  -0.063  -0.293  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -4.725  -1.242  -0.151  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -4.126  -2.303  -0.018  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.197  -1.176  -0.140  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.787   0.085  -0.271  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -8.180   0.172  -0.261  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -8.966  -0.977  -0.123  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.361  -2.228   0.007  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.971  -2.332  -0.000  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -6.034   1.263  -0.410  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7