REMARK  Name = BDB060792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139  -0.454   0.087  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -1.036  -0.855  -0.840  0.00  0.00    +0.134 C 
ATOM      3  C   LIG    1       -2.450  -0.468  -0.485  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -3.174  -1.603  -0.114  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.496  -1.557   0.281  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -5.123  -0.311   0.279  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.429   0.837  -0.138  0.00  0.00    +0.000 A 
ATOM      8  N   LIG    1       -2.402  -2.741  -0.270  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1       -2.724  -3.689  -0.139  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.090   0.760  -0.535  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -1.151  -2.431  -0.775  0.00  0.00    +0.243 C 
ATOM     12  O   LIG    1       -0.299  -3.244  -1.105  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -0.651  -0.425  -2.198  0.00  0.00    -0.288 NA
ATOM     14  H   LIG    1       -1.073  -1.027  -2.908  0.00  0.00    +0.124 HD
ATOM     15  C   LIG    1        0.836  -0.511  -2.255  0.00  0.00    +0.168 C 
ATOM     16  C   LIG    1        1.276   0.001  -0.864  0.00  0.00    +0.059 C 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        2.648  -0.475  -0.393  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        3.604   0.402   0.157  0.00  0.00    +0.044 A 
ATOM     19 CL   LIG    1        3.306   2.092   0.363  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        4.852  -0.069   0.583  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        5.168  -1.421   0.481  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.233  -2.307  -0.040  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.987  -1.842  -0.468  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH   1  27
ATOM     24  C   LIG    1       -0.855   3.109   3.706  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1       -0.606   1.915   2.861  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -0.314   1.831   1.474  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -0.179   0.478   1.218  0.00  0.00    +0.174 A 
ATOM     28  O   LIG    1       -0.400  -0.188   2.395  0.00  0.00    -0.357 OA
ATOM     29  N   LIG    1       -0.660   0.698   3.411  0.00  0.00    -0.081 NA
BRANCH  26  30
ATOM     30  N   LIG    1       -0.201   2.928   0.567  0.00  0.00    +0.062 N 
ATOM     31  O   LIG    1        0.036   4.039   1.055  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1       -0.379   2.696  -0.632  0.00  0.00    -0.126 OA
ENDBRANCH  26  30
ENDBRANCH   1  27
BRANCH  15  33
ATOM     33  C   LIG    1        1.522   0.265  -3.401  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        1.281   1.590  -3.345  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        2.862   0.088  -3.378  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        1.083  -0.185  -4.602  0.00  0.00    -0.169 F 
ENDBRANCH  15  33
TORSDOF 4