REMARK  Name = BDB058192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -0.406  -0.453  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1        1.216   0.916  -0.657  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1        0.021   1.480  -0.546  0.00  0.00    +0.131 A 
ATOM      4  N   LIG    1       -0.255   2.826  -0.800  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1       -1.514   3.059  -0.083  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1       -2.298   1.746  -0.225  0.00  0.00    +0.066 C 
ATOM      7  C   LIG    1       -2.137   4.334  -0.649  0.00  0.00    +0.182 C 
ATOM      8  O   LIG    1       -1.216   5.437  -0.456  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1        0.051   5.194  -1.121  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        0.733   3.879  -0.668  0.00  0.00    +0.135 C 
ATOM     11  C   LIG    1       -1.141   0.792  -0.222  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -1.059  -0.564  -0.037  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1        0.139  -1.167  -0.171  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        4.836  -2.570  -0.973  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        3.671  -3.119  -1.330  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        2.549  -2.381  -1.129  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.510  -1.097  -0.581  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        3.751  -0.554  -0.197  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1        4.922  -1.306  -0.417  0.00  0.00    +0.056 A 
BRANCH  18  20
ATOM     20  C   LIG    1        3.878   0.801   0.455  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        2.970   1.023   1.445  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        5.092   0.963   1.067  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        3.789   1.842  -0.416  0.00  0.00    -0.166 F 
ENDBRANCH  18  20
BRANCH  14  24
ATOM     24  N   LIG    1        5.980  -3.320  -1.214  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        6.544  -3.432  -0.381  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        5.675  -4.217  -1.586  0.00  0.00    +0.144 HD
ENDBRANCH  14  24
ENDBRANCH   1  17
BRANCH  12  27
ATOM     27  N   LIG    1       -2.188  -1.338   0.255  0.00  0.00    -0.315 N 
ATOM     28  C   LIG    1       -2.029  -2.769  -0.035  0.00  0.00    +0.106 C 
ATOM     29  C   LIG    1       -3.352  -3.484   0.225  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -3.796  -3.345   1.682  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -3.083  -2.207   2.408  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1       -2.878  -0.990   1.508  0.00  0.00    +0.106 C 
ENDBRANCH  12  27
TORSDOF 4