REMARK  Name = BDB021416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.800  -1.925   0.622  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.242  -0.926   0.050  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.432  -0.141  -0.764  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.794   1.193  -1.209  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1       -2.144   2.062  -0.017  0.00  0.00    +0.024 C 
ATOM      6  C   LIG    1       -3.624   1.981   0.311  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1       -4.307   0.633   0.332  0.00  0.00    -0.032 A 
ATOM      8  C   LIG    1       -5.717   0.691   0.509  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -6.509  -0.457   0.566  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1       -5.891  -1.696   0.450  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -4.509  -1.780   0.280  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.698  -0.628   0.212  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.026  -0.550  -0.929  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.872  -0.083   0.230  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.087   1.337   0.162  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1        1.583   1.580   0.963  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1        2.221  -0.846   0.271  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.965  -0.944  -1.002  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        4.138  -1.833  -0.866  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        5.330  -1.211  -0.168  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        5.495   0.186  -0.127  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1        6.626   0.735   0.493  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.597  -0.096   1.050  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.445  -1.480   0.996  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.431   1.094  -0.692  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1        6.319  -2.035   0.387  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.411   0.343  -1.560  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  O   LIG    1       -7.862  -0.511   0.730  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -8.565   0.713   0.852  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1       -8.413   1.474  -0.253  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -8.154   1.405   1.936  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       -9.881   0.445   0.999  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7