REMARK  Name = BDB031068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332   0.966  -2.122  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.511   0.927  -1.063  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.186   2.053  -0.752  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.984   3.245  -1.448  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.105   3.272  -2.526  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.557   2.108  -2.880  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        2.673  -1.919   0.414  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        1.921  -0.989  -0.212  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        1.663  -1.119  -1.584  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        2.154  -2.179  -2.347  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        1.810  -2.076  -3.611  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.083  -0.921  -3.687  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        2.935  -3.162  -1.682  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        0.973  -0.293  -2.458  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        3.188  -3.036  -0.366  0.00  0.00    +0.051 A 
BRANCH   7  16
ATOM     16  O   LIG    1        3.045  -1.973   1.729  0.00  0.00    -0.433 OA
BRANCH  16  18
ATOM     17  F   LIG    1        3.071  -1.206   3.826  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        2.480  -1.027   2.619  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1        1.167  -1.319   2.782  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -2.087   2.079   0.329  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -2.947   2.524   0.011  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.383   0.769   0.933  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -3.526   0.880   1.943  0.00  0.00    +0.201 C 
ATOM     24  F   LIG    1       -4.720   0.661   1.335  0.00  0.00    -0.242 F 
ATOM     25  C   LIG    1       -3.211  -0.216   2.943  0.00  0.00    +0.119 C 
ATOM     26  N   LIG    1       -1.765  -0.102   3.125  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -1.359  -0.972   3.471  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -1.228   0.213   1.788  0.00  0.00    +0.106 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5