REMARK  Name = BDB021320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229   1.665   2.790  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        0.830   1.330   1.984  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.319   0.568   1.034  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -1.041   0.394   1.208  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.837  -0.375   0.334  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -1.282  -0.937  -0.705  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.073  -0.766  -0.895  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.912  -0.074  -0.094  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.399   1.105   2.331  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.348   0.008  -0.452  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        3.006   1.244  -0.449  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.362   1.335  -0.779  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        5.098   0.190  -1.116  0.00  0.00    -0.019 A 
ATOM     14  C   LIG    1        4.443  -1.048  -1.108  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        3.087  -1.139  -0.777  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.567   0.318  -1.449  0.00  0.00    +0.148 C 
ATOM     17  O   LIG    1        7.095  -0.868  -2.078  0.00  0.00    -0.372 OA
ATOM     18  C   LIG    1        8.327  -1.217  -1.434  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1        8.758  -0.004  -0.641  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        7.431   0.571  -0.219  0.00  0.00    +0.038 C 
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1        0.029   3.183   4.876  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1       -0.064   2.504   3.938  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -3.183  -0.501   0.603  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.475  -0.376   1.566  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.001  -1.465  -0.113  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.449  -1.207   0.185  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.131  -0.112  -0.338  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.644   0.995  -1.197  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.987   1.610  -1.590  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.979   1.251  -0.600  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.463   0.122  -0.019  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.174  -0.704   0.827  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.514  -1.812   1.359  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.170  -2.051   1.038  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.564  -3.114   1.587  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 6