REMARK  Name = BDB060791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.146   0.153  -0.681  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1        1.278   0.568  -1.082  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1        2.288   0.952  -0.022  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        2.726   2.259  -0.255  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        3.661   2.890   0.539  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        4.183   2.169   1.612  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.767   0.849   1.857  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1        2.100   2.788  -1.370  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.253   3.710  -1.752  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        2.819   0.229   1.036  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        1.218   1.880  -1.939  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1        0.524   2.100  -2.918  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        1.781  -0.546  -1.926  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1        2.775  -0.710  -1.752  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        0.961  -1.764  -1.639  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1       -0.019  -1.369  -0.512  0.00  0.00    +0.058 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1       -1.351  -2.098  -0.544  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -1.742  -2.866   0.567  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.965  -3.539   0.572  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.804  -3.446  -0.530  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -4.978  -4.089  -0.523  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.442  -2.692  -1.638  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -2.218  -2.019  -1.647  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1       -2.588   2.904   2.921  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -1.729   2.005   2.113  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -1.729   1.776   0.715  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -0.727   0.850   0.507  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1       -0.192   0.525   1.719  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1       -0.804   1.249   2.717  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1       -2.583   2.364  -0.264  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1       -2.768   1.732  -1.310  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -3.088   3.456   0.020  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1        1.741  -3.046  -1.275  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        0.924  -4.101  -1.086  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        2.456  -2.868  -0.140  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        2.616  -3.374  -2.253  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4