REMARK  Name = BDB021313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.695   0.161  -0.008  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.895  -0.712  -0.804  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.534  -0.470  -0.821  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.030  -1.399  -1.665  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.019  -2.173  -2.102  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.075   0.562  -0.077  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.671   1.347   0.652  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.207  -1.750  -1.559  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -2.033   1.134   0.657  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -7.674   1.062   0.181  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -6.316   0.470   0.200  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -6.153  -0.833   0.437  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -4.817  -1.028   0.364  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -4.323  -2.360   0.628  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -4.116   0.129   0.101  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -5.080   1.116  -0.005  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -0.955  -3.288  -2.997  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -0.862  -4.194  -3.719  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.445   0.705  -0.141  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.977  -0.131  -0.384  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.144   1.597   0.770  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.618   1.613   0.472  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        4.414   0.472   0.568  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.038  -0.928   0.879  0.00  0.00    +0.186 C 
ATOM     25  C   LIG    1        5.435  -1.532   1.072  0.00  0.00    +0.265 C 
ATOM     26  O   LIG    1        6.391  -0.710   0.352  0.00  0.00    -0.489 OA
ATOM     27  C   LIG    1        5.770   0.509   0.262  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1        6.401   1.669  -0.138  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        5.632   2.830  -0.215  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1        4.262   2.795   0.087  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.563   3.935  -0.005  0.00  0.00    -0.205 F 
BRANCH  24  32
ATOM     32  O   LIG    1        3.358  -1.455  -0.260  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        4.020  -1.497  -0.979  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 6