REMARK  Name = BDB058171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.449  -0.125   0.299  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1        1.959  -1.113   1.110  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1        1.358  -1.778   1.573  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.287  -1.215   1.449  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1        3.676  -2.086   2.215  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.174  -0.212   0.844  0.00  0.00    +0.103 A 
ATOM      7  C   LIG    1        3.579   0.756   0.027  0.00  0.00    +0.081 A 
ATOM      8  C   LIG    1        4.386   1.734  -0.566  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        5.765   1.744  -0.347  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        6.334   0.772   0.469  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1        7.658   0.788   0.674  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1        5.548  -0.206   1.066  0.00  0.00    +0.173 A 
ATOM     13  F   LIG    1        6.136  -1.126   1.844  0.00  0.00    -0.202 F 
ATOM     14  N   LIG    1        2.199   0.791  -0.227  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -2.811  -0.072  -0.415  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -2.140  -1.283  -0.151  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -0.761  -1.321   0.078  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -0.019  -0.138   0.060  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -0.667   1.072  -0.208  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -2.048   1.105  -0.435  0.00  0.00    +0.007 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.882   1.173  -1.325  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -4.321  -0.085  -0.649  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -5.062  -0.327   0.670  0.00  0.00    +0.046 C 
BRANCH  22  24
ATOM     24  O   LIG    1       -4.635  -1.177  -1.526  0.00  0.00    -0.385 OA
ATOM     25  H   LIG    1       -3.999  -1.140  -2.261  0.00  0.00    +0.211 HD
ENDBRANCH  22  24
ENDBRANCH  15  22
ENDBRANCH   1  18
TORSDOF 3