REMARK  Name = BDB020116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.599  -0.597  -1.246  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.541   0.786  -1.020  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.691   1.544  -0.722  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -2.909   0.833  -0.673  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -2.999  -0.553  -0.898  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -1.829  -1.257  -1.203  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.795  -0.947  -1.007  0.00  0.00    -0.304 N 
ATOM      8  H   LIG    1        1.769  -0.228  -0.299  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        0.619  -1.391  -1.565  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        0.524  -2.397  -2.260  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.049  -1.645  -1.207  0.00  0.00    +0.107 C 
BRANCH  11  18
ATOM     12  C   LIG    1        5.859   1.278   1.869  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        5.280  -0.054   1.502  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        5.579  -1.183   2.266  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1        6.367  -1.068   3.345  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.075  -2.434   1.933  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        4.260  -2.575   0.809  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        3.951  -1.464   0.006  0.00  0.00    -0.027 A 
ATOM     19  C   LIG    1        4.469  -0.205   0.368  0.00  0.00    +0.011 A 
ENDBRANCH  11  18
BRANCH  11  20
ATOM     20  C   LIG    1        3.719  -1.124  -2.457  0.00  0.00    +0.014 C 
ATOM     21  C   LIG    1        3.459  -1.777  -3.794  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1        4.803  -1.925  -3.139  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -1.644   3.109  -0.459  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -0.956   4.030  -1.507  0.00  0.00    +0.008 C 
ATOM     25  C   LIG    1       -0.513   4.922  -0.330  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -0.617   3.672   0.566  0.00  0.00    +0.008 C 
ENDBRANCH   3  23
BRANCH   5  27
ATOM     27  C   LIG    1       -4.330  -1.274  -0.875  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.168  -0.867   0.236  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -4.926  -1.163   1.585  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -3.917  -1.740   2.131  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -3.225  -1.957   1.413  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -6.064  -0.695   2.246  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -6.291  -0.892   3.656  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -6.973  -0.191   1.330  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -6.430  -0.292   0.110  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7