REMARK  Name = BDB006928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.763   1.966   3.990  0.00  0.00    +0.017 C 
ATOM      2  C   LIG    1       -1.059   2.077   2.490  0.00  0.00    +0.009 C 
ATOM      3  C   LIG    1       -1.989   0.984   2.042  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -1.374   0.102   1.162  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.070  -0.973   0.647  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.396  -1.131   1.048  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -4.014  -0.280   1.917  0.00  0.00    -0.259 NA
ATOM      8  N   LIG    1       -0.042   0.494   0.926  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1        0.871  -0.178   0.115  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        0.615  -1.240  -0.456  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1       -3.301   0.761   2.395  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        0.205   1.757   1.649  0.00  0.00    +0.124 C 
ATOM     13  C   LIG    1       -1.607   3.467   2.154  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1       -4.218  -2.278   0.504  0.00  0.00    +0.090 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.692  -2.064  -0.915  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -4.070  -2.721  -1.986  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.507  -2.508  -3.295  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.566  -1.637  -3.546  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.188  -0.975  -2.489  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.753  -1.185  -1.180  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
BRANCH   9  21
ATOM     21  C   LIG    1        2.257   0.504   0.010  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.169  -0.164  -0.937  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1        4.305   0.707  -1.293  0.00  0.00    +0.106 C 
ATOM     24  C   LIG    1        5.485  -0.072  -1.932  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        6.058  -1.102  -1.030  0.00  0.00    -0.309 NA
ATOM     26  H   LIG    1        6.880  -0.751  -0.543  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.081  -1.567  -0.033  0.00  0.00    +0.096 C 
ATOM     28  C   LIG    1        3.609  -1.500  -0.490  0.00  0.00    +0.100 C 
BRANCH  24  29
ATOM     29  C   LIG    1        6.567   0.907  -2.407  0.00  0.00    +0.233 C 
ATOM     30  F   LIG    1        6.029   1.800  -3.282  0.00  0.00    -0.247 F 
ENDBRANCH  24  29
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5