REMARK  Name = BDB021814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.408   0.175  -1.022  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.092  -0.845  -0.351  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.458  -0.840  -0.533  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.768  -0.502  -1.429  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.504  -1.690   0.320  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.812  -0.236  -0.724  0.00  0.00    -0.292 NA
ATOM      7  C   LIG    1        3.038  -1.439  -1.041  0.00  0.00    +0.087 C 
ATOM      8  C   LIG    1        1.701  -1.038  -1.670  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.073   0.189  -0.978  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.658   0.394   0.425  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.186   0.539   0.361  0.00  0.00    +0.087 C 
BRANCH   6  13
ATOM     12  C   LIG    1        6.052   0.792  -0.417  0.00  0.00    +0.033 C 
ATOM     13  C   LIG    1        5.265  -0.524  -0.512  0.00  0.00    +0.158 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.705  -1.471   0.639  0.00  0.00    +0.405 C 
ATOM     15  F   LIG    1        7.037  -1.714   0.571  0.00  0.00    -0.169 F 
ATOM     16  F   LIG    1        5.456  -0.949   1.860  0.00  0.00    -0.169 F 
ATOM     17  F   LIG    1        5.085  -2.671   0.568  0.00  0.00    -0.169 F 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -3.410  -1.581   0.199  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -4.704  -1.673  -0.331  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -5.716  -2.380   0.344  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -5.420  -2.976   1.577  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.139  -2.876   2.115  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.140  -2.179   1.431  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -7.106  -2.457  -0.234  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -7.882  -1.405   0.147  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -7.116  -2.452  -1.597  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -7.784  -3.578   0.138  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   3  18
BRANCH   1  28
ATOM     28  C   LIG    1       -1.046   1.401  -1.523  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.951   2.559  -0.556  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.656   2.538   0.657  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.563   3.607   1.549  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.767   4.708   1.240  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.062   4.741   0.038  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.153   3.673  -0.856  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 7