REMARK  Name = BDB059528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.011  -0.417   0.709  0.00  0.00    +0.133 A 
ATOM      2  N   LIG    1        0.900   0.426   1.265  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        2.071   0.599   0.645  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        2.450  -0.007  -0.485  0.00  0.00    -0.191 NA
ATOM      5  C   LIG    1        1.559  -0.865  -1.035  0.00  0.00    +0.152 A 
ATOM      6  C   LIG    1        0.325  -1.100  -0.456  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.913  -1.598  -2.316  0.00  0.00    +0.434 C 
ATOM      8  F   LIG    1        3.125  -1.253  -2.837  0.00  0.00    -0.164 F 
ATOM      9  F   LIG    1        1.948  -2.951  -2.152  0.00  0.00    -0.164 F 
ATOM     10  F   LIG    1        1.006  -1.373  -3.311  0.00  0.00    -0.164 F 
ENDBRANCH   5   7
BRANCH   1  12
ATOM     11  C   LIG    1       -1.486   0.212   2.496  0.00  0.00    +0.137 C 
ATOM     12  N   LIG    1       -1.243  -0.648   1.333  0.00  0.00    -0.288 N 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.440  -0.934   0.639  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -2.997  -0.095  -0.324  0.00  0.00    -0.023 A 
ATOM     15  C   LIG    1       -2.535   1.258  -0.782  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -3.326   1.427  -2.087  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1       -4.633   0.649  -1.907  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -4.201  -0.431  -0.965  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -4.877  -1.602  -0.666  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.330  -2.455   0.290  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.129  -2.122   0.937  0.00  0.00    +0.024 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   3  22
ATOM     22  O   LIG    1        2.929   1.470   1.279  0.00  0.00    -0.462 OA
BRANCH  22  23
ATOM     23  C   LIG    1        4.161   1.706   0.594  0.00  0.00    +0.243 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.205   0.669   0.981  0.00  0.00    +0.161 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.460   0.801   0.173  0.00  0.00    +0.308 C 
ATOM     26  O   LIG    1        7.156  -0.121  -0.220  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        6.842   2.074  -0.042  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1        7.685   1.986  -0.535  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8