REMARK  Name = BDB021186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.551   0.718  -0.374  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -1.095  -0.622  -0.156  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.256  -0.794   0.075  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.463  -2.132   0.319  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.772  -2.718   0.173  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.172   0.271   0.074  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.753   1.493  -0.105  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.730  -1.782  -0.130  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -0.596   1.677  -0.327  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -4.164  -0.208   1.270  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.046   0.655   0.065  0.00  0.00    +0.044 A 
ATOM     12  N   LIG    1       -5.116   1.215  -0.604  0.00  0.00    -0.265 N 
ATOM     13  N   LIG    1       -4.735   2.000  -1.637  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1       -3.410   1.885  -1.666  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1       -2.921   1.059  -0.637  0.00  0.00    +0.027 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -6.552   1.099  -0.353  0.00  0.00    +0.101 C 
ATOM     17  C   LIG    1       -6.998   1.957   0.830  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -7.045  -0.343  -0.242  0.00  0.00    +0.032 C 
ENDBRANCH  12  16
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  C   LIG    1       -1.096  -4.104   0.318  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1       -1.330  -5.235   0.442  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1        2.512   0.041   0.289  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        2.945   0.934   0.516  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.297  -0.585  -0.771  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.681  -0.865  -0.268  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        5.698   0.085  -0.292  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.715   1.462  -0.843  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        7.032   1.955  -0.244  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        7.862   0.814   0.070  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        6.968  -0.217   0.186  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        7.286  -1.455   0.708  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        6.277  -2.416   0.760  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        4.995  -2.116   0.281  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        4.051  -3.067   0.342  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 6