REMARK  Name = BDB055360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.753   0.396  -0.203  0.00  0.00    +0.066 A 
ATOM      2  N   LIG    1        2.254   1.661  -0.443  0.00  0.00    -0.319 N 
ATOM      3  H   LIG    1        1.615   2.441  -0.550  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.599   1.979  -0.526  0.00  0.00    +0.273 A 
ATOM      5  O   LIG    1        3.969   3.129  -0.734  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        4.488   0.856  -0.347  0.00  0.00    +0.116 A 
ATOM      7  N   LIG    1        3.969  -0.405  -0.113  0.00  0.00    -0.284 N 
ATOM      8  C   LIG    1        5.009  -1.287   0.020  0.00  0.00    +0.234 A 
ATOM      9  C   LIG    1        6.176  -0.589  -0.130  0.00  0.00    +0.178 A 
ATOM     10  F   LIG    1        7.407  -1.106  -0.065  0.00  0.00    -0.201 F 
ATOM     11  F   LIG    1        4.899  -2.602   0.256  0.00  0.00    -0.182 F 
ATOM     12  C   LIG    1        5.869   0.764  -0.362  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        2.603  -0.634  -0.041  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.527  -0.088  -0.051  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -1.897   0.486  -1.166  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -0.507   0.641  -1.216  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        0.294   0.221  -0.149  0.00  0.00    -0.000 A 
ATOM     18  C   LIG    1       -0.321  -0.352   0.969  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1       -1.712  -0.505   1.016  0.00  0.00    +0.007 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.641   0.539   1.175  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.044  -0.259   0.009  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -4.426  -1.741   0.113  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.640   0.246  -1.194  0.00  0.00    -0.385 OA
ATOM     24  H   LIG    1       -5.601   0.121  -1.124  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3