REMARK  Name = BDB007023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.816   1.226  -0.593  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.547   0.762  -0.976  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.195  -0.531  -0.640  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        1.009  -1.242  -0.890  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        1.117  -2.551  -0.212  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        2.577  -2.719   0.265  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        3.332  -3.723  -0.610  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        2.643  -3.124   1.734  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -0.102  -0.759  -1.559  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -0.184   0.377  -2.037  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.108  -1.320   0.050  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        4.335  -0.922   0.432  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        4.660   0.350   0.098  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        4.268   2.633  -0.899  0.00  0.00    +0.275 C 
ATOM     15  F   LIG    1        5.620   2.777  -0.769  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1        3.987   2.972  -2.188  0.00  0.00    -0.200 F 
BRANCH  14  17
ATOM     17  C   LIG    1        3.587   3.643   0.037  0.00  0.00    +0.080 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.961   5.731  -1.411  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        4.154   5.068  -0.053  0.00  0.00    +0.003 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -1.287  -1.730  -1.734  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.910  -2.107  -0.453  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -2.359  -0.959   0.391  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -2.910  -1.502   1.748  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.985  -2.506   1.605  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -4.216  -2.875   2.526  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.588  -3.598   0.694  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -2.617  -4.573   1.376  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -3.010  -3.067  -0.650  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     29  C   LIG    1       -3.405   0.010  -0.253  0.00  0.00    +0.104 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.403   1.311   0.430  0.00  0.00    -0.298 NA
ATOM     31  C   LIG    1       -2.374   2.237  -0.097  0.00  0.00    +0.121 C 
ATOM     32  C   LIG    1       -2.884   3.634   0.266  0.00  0.00    +0.181 C 
ATOM     33  F   LIG    1       -2.101   4.191   1.223  0.00  0.00    -0.244 F 
ATOM     34  C   LIG    1       -4.283   3.418   0.821  0.00  0.00    +0.053 C 
ATOM     35  C   LIG    1       -4.676   2.031   0.327  0.00  0.00    +0.087 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 7