REMARK  Name = BDB027576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.346  -0.823  -1.266  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.428  -1.477  -0.331  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.825  -1.794  -0.613  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.480  -1.972   0.766  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.311  -2.493   1.609  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.105  -1.738   1.065  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.054  -0.501  -2.381  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.360   0.245  -0.215  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        3.392   1.214  -0.551  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1        3.732   2.514  -0.517  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1        2.089   0.880  -0.890  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        1.729  -0.461  -0.898  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        2.684  -1.451  -0.641  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        4.017  -1.115  -0.319  0.00  0.00    -0.026 A 
ATOM     15  C   LIG    1        4.981  -2.257  -0.163  0.00  0.00    +0.046 C 
BRANCH   8  17
ATOM     16  C   LIG    1        6.538   0.232   1.022  0.00  0.00    +0.241 C 
ATOM     17  N   LIG    1        5.620   0.772   0.155  0.00  0.00    -0.279 N 
ATOM     18  H   LIG    1        5.723   1.766  -0.023  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        6.412  -0.774   1.707  0.00  0.00    -0.271 OA
BRANCH  16  21
ATOM     20  C   LIG    1        8.296   1.865   0.276  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        7.761   1.063   1.206  0.00  0.00    +0.060 C 
ENDBRANCH  16  21
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   4  22
ATOM     22  N   LIG    1       -2.946  -0.707   1.335  0.00  0.00    -0.309 N 
ATOM     23  H   LIG    1       -2.272   0.053   1.317  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.090  -0.180   0.751  0.00  0.00    +0.216 A 
ATOM     25  N   LIG    1       -4.146   1.157   0.711  0.00  0.00    -0.215 NA
ATOM     26  C   LIG    1       -5.223   1.726   0.151  0.00  0.00    +0.076 A 
ATOM     27  C   LIG    1       -6.269   0.976  -0.388  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -7.391   1.597  -0.972  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -7.467   2.986  -1.017  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.431   3.746  -0.484  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.106  -0.396  -0.300  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -5.324   3.111   0.092  0.00  0.00    +0.028 A 
ATOM     33  N   LIG    1       -5.033  -0.990   0.256  0.00  0.00    -0.222 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5