REMARK  Name = BDB062244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.891   0.151   0.393  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.350  -1.158   0.511  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -1.034  -1.249   0.919  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.732  -2.587   1.023  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.876  -3.243   0.629  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.238  -0.119   1.181  0.00  0.00    +0.201 A 
ATOM      7  N   LIG    1       -0.751   1.077   1.084  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.870  -2.353   0.303  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -2.068   1.181   0.688  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -3.792  -0.077  -2.459  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.708   0.362  -1.352  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -4.274   0.453  -0.022  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -5.205   0.861   0.943  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -6.510   1.162   0.567  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.846   1.050  -0.769  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.979   0.664  -1.730  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -2.075  -4.658   0.550  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -2.193  -5.812   0.493  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.078  -0.271   1.562  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1        1.397   0.622   1.948  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.080  -0.692   0.569  0.00  0.00    +0.149 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.529   0.501  -0.302  0.00  0.00    +0.195 C 
ATOM     23  O   LIG    1        3.148   1.495   0.565  0.00  0.00    -0.487 OA
ATOM     24  C   LIG    1        4.491   1.363   0.334  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        4.795   0.544  -0.743  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.109   0.315  -1.110  0.00  0.00    +0.045 A 
ATOM     27  C   LIG    1        7.108   0.926  -0.354  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1        6.803   1.754   0.733  0.00  0.00    +0.042 A 
ATOM     29  F   LIG    1        8.391   0.723  -0.681  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        5.471   1.983   1.085  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        3.542   0.084  -1.382  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5