REMARK  Name = BDB035933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.842  -0.580   0.322  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.009   0.585  -0.056  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.782   1.539   1.139  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.170   0.898   2.317  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.308  -0.568   2.305  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.666  -1.033   1.727  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.818  -0.839  -0.929  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.280   0.405  -0.858  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.990   0.469  -0.450  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.494   1.713  -0.339  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.182  -0.631  -0.101  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.804  -1.886  -0.196  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.130  -2.000  -0.613  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.144   0.430  -2.201  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.827   0.306  -1.638  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.214   1.116  -1.582  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.244  -0.918  -1.385  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.813  -1.995  -1.520  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.156   1.392   2.691  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.280   1.120   1.723  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.044  -0.046   1.786  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.079  -0.268   0.866  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -4.889  -1.520   0.941  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1       -6.001  -1.633  -0.070  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -6.231  -0.544  -1.061  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.403   0.526  -1.100  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -5.487   1.621  -2.138  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1       -6.703  -2.644  -0.078  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -4.322   0.695  -0.103  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -3.609   1.840  -0.168  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -2.619   2.029   0.734  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -7.426  -0.818  -1.917  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -7.794   0.243  -2.687  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.213  -1.845  -2.779  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -8.535  -1.115  -1.189  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5