REMARK  Name = BDB016107
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.001   0.278   0.175  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.017   1.111   0.470  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -2.275   0.704   0.201  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.534  -0.532  -0.394  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.419  -1.308  -0.653  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.154  -0.938  -0.374  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.805   0.317   0.517  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.493  -0.094   0.230  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.374   0.728   0.484  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.624   1.995   1.043  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.921   2.421   1.335  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.006   1.585   1.074  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.331  -1.404  -0.597  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.933  -1.310  -0.255  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.212  -2.435  -0.110  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.990  -1.984   0.188  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.923  -0.571   0.243  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.210  -0.170  -0.054  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.861  -0.999  -0.748  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.320  -2.289  -0.572  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.608  -2.301  -1.025  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.513  -3.425  -1.049  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.024  -1.108  -1.483  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.959  -0.319  -1.322  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.334   1.583   0.505  0.00  0.00    -0.320 N 
ATOM     26  H   LIG    1       -4.064   1.073   1.006  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.938   2.819   1.218  0.00  0.00    +0.216 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.126   3.711   1.595  0.00  0.00    +0.405 C 
ATOM     29  F   LIG    1       -5.018   3.028   2.352  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1       -4.777   4.177   0.508  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -3.716   4.779   2.317  0.00  0.00    -0.169 F 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6