REMARK  Name = BDB057970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.332   0.114   0.176  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.736  -0.788   0.106  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.735  -0.627  -0.864  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.628   0.438  -1.773  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.574   1.351  -1.686  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.401   1.200  -0.702  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.922  -0.149   2.401  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.337  -0.058   1.247  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        2.694  -0.101   0.910  0.00  0.00    -0.290 N 
ATOM     10  C   LIG    1        3.132  -0.612  -0.394  0.00  0.00    +0.163 C 
ATOM     11  C   LIG    1        4.580  -0.364  -0.603  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1        5.388  -0.508  -1.707  0.00  0.00    +0.136 A 
ATOM     13  N   LIG    1        6.680  -0.162  -1.412  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1        6.689   0.201  -0.136  0.00  0.00    +0.215 A 
ATOM     15  N   LIG    1        5.424   0.075   0.386  0.00  0.00    -0.321 N 
ATOM     16  C   LIG    1        4.975   0.389   1.729  0.00  0.00    +0.142 C 
ATOM     17  C   LIG    1        3.637  -0.281   2.018  0.00  0.00    +0.130 C 
BRANCH  14  18
ATOM     18  C   LIG    1        7.844   0.683   0.682  0.00  0.00    +0.451 C 
ATOM     19  F   LIG    1        7.559   1.862   1.300  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        8.151  -0.197   1.674  0.00  0.00    -0.163 F 
ATOM     21  F   LIG    1        8.976   0.879  -0.037  0.00  0.00    -0.163 F 
ENDBRANCH  14  18
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1       -2.884  -1.606  -0.943  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.250  -0.936  -1.023  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -4.862  -0.341   0.194  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.108   0.266   0.045  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -6.753   0.853   1.142  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.144   0.832   2.395  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.898   0.227   2.551  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.746   0.284  -1.281  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -7.841   0.806  -1.458  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.044  -0.316  -2.297  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -6.471  -0.314  -3.219  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.256  -0.361   1.455  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -4.828  -0.912  -2.189  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4