REMARK  Name = BDB019105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.969  -0.038   0.181  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.336  -1.063  -0.575  0.00  0.00    +0.097 A 
ATOM      3  N   LIG    1       -0.034  -1.163  -0.456  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.425  -2.240  -1.210  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        0.589  -2.793  -1.841  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.797  -0.301   0.351  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.207   0.622   1.063  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.694  -2.064  -1.453  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.165   0.740   0.940  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.100   0.813  -0.170  0.00  0.00    +0.138 A 
ATOM     11  C   LIG    1        5.631   0.328   1.048  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.275   0.021   1.224  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        3.803  -0.531   2.537  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1        3.415   0.257   0.145  0.00  0.00    +0.078 A 
ATOM     15  N   LIG    1        3.845   0.735  -1.049  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1        5.168   0.994  -1.180  0.00  0.00    +0.157 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.960   1.430  -1.502  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        7.440   1.061  -0.230  0.00  0.00    -0.494 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.165  -0.434   0.422  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.478   0.086   1.240  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.969  -0.004  -0.719  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.413  -0.307  -0.455  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.243   0.547   0.267  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.948   1.839   0.932  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.375   2.297   1.234  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -7.243   1.141   1.264  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.565   0.205   0.527  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -7.119  -0.983   0.097  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.308  -1.852  -0.632  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.975  -1.512  -0.898  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.221  -2.376  -1.593  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
BRANCH   8  32
ATOM     32  C   LIG    1        3.003  -2.404  -1.928  0.00  0.00    +0.121 C 
ATOM     33  N   LIG    1        4.066  -2.691  -2.300  0.00  0.00    -0.189 NA
ENDBRANCH   8  32
TORSDOF 6