REMARK  Name = BDB014135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.945  -0.263  -1.125  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.060   0.693  -2.084  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -2.304   0.991  -2.511  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -3.453   0.391  -2.023  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.323  -0.579  -1.030  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.043  -0.918  -0.583  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.472  -1.258  -0.468  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -5.681  -0.715  -0.099  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.381  -1.778   0.390  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.319  -1.812   0.778  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -5.662  -2.906   0.338  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -4.480  -2.598  -0.177  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.256   0.624  -0.111  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -6.574   1.024  -1.366  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -7.404   0.674   0.614  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -5.421   1.554   0.408  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        2.571  -0.610  -0.435  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        1.567  -0.024  -1.153  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.401  -0.583  -0.669  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.690  -1.502   0.321  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        1.999  -1.495   0.435  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.995  -0.382  -0.605  0.00  0.00    +0.157 C 
BRANCH  22  27
ATOM     23  F   LIG    1        6.156   2.605   3.665  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        5.642   1.897   2.651  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        4.790   2.516   1.746  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.255   1.778   0.688  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.573   0.418   0.536  0.00  0.00    -0.028 A 
ATOM     28  C   LIG    1        5.437  -0.188   1.464  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        5.970   0.553   2.520  0.00  0.00    +0.038 A 
ENDBRANCH  22  27
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 5