REMARK  Name = BDB061697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.738   0.692  -0.929  0.00  0.00    +0.073 A 
ATOM      2  N   LIG    1       -1.872   0.934   0.101  0.00  0.00    -0.249 NA
ATOM      3  C   LIG    1       -0.636   0.401   0.061  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.209  -0.392  -1.007  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        1.086  -0.896  -0.961  0.00  0.00    +0.123 A 
ATOM      6  N   LIG    1        1.950  -0.669   0.051  0.00  0.00    -0.239 NA
ATOM      7  C   LIG    1        1.529   0.086   1.084  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -1.099  -0.635  -2.062  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.248   0.634   1.101  0.00  0.00    +0.072 A 
ATOM     10  C   LIG    1       -2.377  -0.087  -2.023  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.122   1.349  -0.788  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -4.711   1.784  -2.131  0.00  0.00    +0.048 C 
BRANCH  11  17
ATOM     13  C   LIG    1       -8.362  -1.218   0.354  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -7.764  -0.476  -0.754  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1       -7.541   0.934  -0.423  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -6.374   1.181   0.536  0.00  0.00    +0.022 C 
ATOM     17  C   LIG    1       -5.053   0.488   0.132  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1       -5.335  -0.956  -0.332  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -6.543  -1.104  -1.256  0.00  0.00    +0.084 C 
ENDBRANCH  11  17
BRANCH  11  20
ATOM     20  O   LIG    1       -3.899   2.594  -0.075  0.00  0.00    -0.382 OA
ATOM     21  H   LIG    1       -3.042   2.472   0.386  0.00  0.00    +0.211 HD
ENDBRANCH  11  20
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  N   LIG    1        2.378   0.377   2.175  0.00  0.00    -0.297 N 
ATOM     23  H   LIG    1        1.886   0.252   3.056  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.753   0.076   2.334  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1        4.271  -0.062   3.625  0.00  0.00    +0.145 A 
ATOM     26  F   LIG    1        3.445   0.028   4.680  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1        5.619  -0.301   3.846  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        6.487  -0.392   2.755  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        6.034  -0.239   1.435  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1        4.656   0.009   1.262  0.00  0.00    +0.049 A 
BRANCH  29  31
ATOM     31  N   LIG    1        6.897  -0.320   0.356  0.00  0.00    -0.325 N 
ATOM     32  C   LIG    1        6.410  -0.605  -1.005  0.00  0.00    +0.133 C 
ATOM     33  C   LIG    1        7.505  -1.315  -1.820  0.00  0.00    +0.178 C 
ATOM     34  O   LIG    1        8.726  -0.571  -1.940  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1        8.964   0.308  -0.831  0.00  0.00    +0.178 C 
ATOM     36  C   LIG    1        8.354  -0.176   0.496  0.00  0.00    +0.133 C 
ENDBRANCH  29  31
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 6