REMARK  Name = BDB056742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.127  -1.672   1.444  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.008  -1.175   0.096  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.778  -0.206  -0.483  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.292  -0.110  -1.784  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.876   0.799  -2.681  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.942   1.591  -2.241  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.421   1.464  -0.937  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -0.751  -0.975  -1.983  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        1.841   0.579  -0.018  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.941  -1.593  -0.832  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        3.434   2.301  -0.531  0.00  0.00    -0.436 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.708   1.745  -0.454  0.00  0.00    +0.257 A 
ATOM     13  C   LIG    1        5.730   2.597  -0.047  0.00  0.00    +0.186 A 
ATOM     14  F   LIG    1        5.487   3.878   0.260  0.00  0.00    -0.200 F 
ATOM     15  C   LIG    1        7.028   2.108   0.042  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1        7.261   0.778  -0.282  0.00  0.00    +0.062 A 
ATOM     17 CL   LIG    1        8.845   0.124  -0.190  0.00  0.00    -0.082 Cl
ATOM     18  C   LIG    1        6.188  -0.010  -0.680  0.00  0.00    +0.134 A 
ATOM     19  N   LIG    1        4.913   0.441  -0.771  0.00  0.00    -0.217 NA
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -1.987  -2.628  -0.547  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.190  -2.317  -1.256  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.101  -1.476  -0.679  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -3.898  -0.698   0.460  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -4.926   0.128   0.941  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -6.155   0.178   0.274  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.356  -0.592  -0.870  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.330  -1.411  -1.342  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -4.750   0.971   2.148  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -5.573   1.740   2.608  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -3.552   0.804   2.737  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -3.586   1.428   3.493  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7