REMARK  Name = BDB062941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.547  -0.813   0.965  0.00  0.00    +0.162 C 
ATOM      2  N   LIG    1       -0.734  -0.147   0.749  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.321  -0.159  -0.508  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.763  -0.778  -1.426  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.294   0.346   1.994  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1       -0.173   0.188   3.013  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.617  -1.004   2.481  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.629   1.276   0.339  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        1.728   0.059   0.474  0.00  0.00    +0.239 C 
ATOM     10  N   LIG    1        2.881  -0.678   0.298  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.854  -1.681   0.428  0.00  0.00    +0.156 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.146  -0.242  -0.106  0.00  0.00    +0.126 A 
ATOM     13  N   LIG    1        5.040  -1.252  -0.165  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1        6.288  -0.897  -0.551  0.00  0.00    +0.110 A 
ATOM     15  C   LIG    1        6.650   0.403  -0.866  0.00  0.00    +0.084 A 
ATOM     16  N   LIG    1        7.975   0.336  -1.201  0.00  0.00    -0.275 N 
ATOM     17  H   LIG    1        8.580   1.096  -1.491  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1        8.501  -0.903  -1.123  0.00  0.00    -0.180 NA
ATOM     19  C   LIG    1        5.735   1.446  -0.805  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        7.463  -1.652  -0.728  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        4.444   1.086  -0.408  0.00  0.00    +0.046 A 
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  C   LIG    1       -2.691   0.624  -0.709  0.00  0.00    +0.072 C 
ATOM     23  C   LIG    1       -2.944   1.070  -2.214  0.00  0.00    +0.021 C 
ATOM     24  C   LIG    1       -3.504   2.394  -1.676  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -2.648   2.172  -0.420  0.00  0.00    +0.021 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.890  -0.282  -0.091  0.00  0.00    -0.032 A 
ATOM     27  C   LIG    1       -4.765   0.172   0.920  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.789  -0.632   1.431  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -5.964  -1.915   0.937  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1       -6.943  -2.686   1.427  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.136  -2.407  -0.059  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -4.116  -1.597  -0.565  0.00  0.00    +0.007 A 
ENDBRANCH  22  26
ENDBRANCH   3  22
TORSDOF 4