REMARK  Name = BDB061186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.302  -0.782  -0.974  0.00  0.00    +0.098 A 
ATOM      2  C   LIG    1        1.792  -1.058   0.338  0.00  0.00    +0.186 A 
ATOM      3  N   LIG    1        0.435  -0.951   0.523  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1        0.203  -1.316   1.816  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.342  -1.586   2.413  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.452  -0.576  -0.488  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.007  -0.355  -1.694  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.343  -1.438   1.477  0.00  0.00    -0.128 NA
ATOM      9  C   LIG    1        1.355  -0.468  -1.894  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        4.082  -1.542  -2.543  0.00  0.00    +0.137 C 
ATOM     11  N   LIG    1        3.670  -0.872  -1.302  0.00  0.00    -0.283 N 
BRANCH  11  12
ATOM     12  C   LIG    1        4.690  -0.316  -0.581  0.00  0.00    +0.143 A 
ATOM     13  N   LIG    1        6.003  -0.462  -0.965  0.00  0.00    -0.221 NA
ATOM     14  C   LIG    1        6.712   0.181  -0.065  0.00  0.00    +0.201 A 
ATOM     15  N   LIG    1        5.909   0.760   0.870  0.00  0.00    -0.338 N 
ATOM     16  C   LIG    1        6.342   1.525   2.010  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1        4.614   0.482   0.539  0.00  0.00    +0.130 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  18
ATOM     18  N   LIG    1       -1.801  -0.460  -0.234  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.280  -0.447  -1.134  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.275   0.680   0.546  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.747   0.540   0.788  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.705   0.978  -0.122  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.550   1.704  -1.406  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.974   1.565  -1.945  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.874   1.332  -0.839  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.061   0.828   0.142  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.527   0.241   1.301  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.585  -0.224   2.218  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.217  -0.076   1.956  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.339  -0.530   2.862  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5