REMARK  Name = BDB006068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.741   1.843   0.329  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.737   1.199   0.048  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.797   0.763   1.091  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.686   0.040   0.698  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.728  -0.420   1.611  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.585  -1.157   1.219  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.445  -1.405  -0.059  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -3.363  -0.983  -0.997  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -3.201  -1.193  -1.973  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.925  -0.127   2.961  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.048   0.604   3.377  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.491  -0.262  -0.722  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -5.322   0.125  -1.645  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.987   1.052   2.442  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -6.419   0.842  -1.246  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -7.058   1.134  -1.978  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -1.220  -2.189  -0.537  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.038  -1.341  -0.750  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        0.463  -0.707   0.478  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        1.991  -0.382   0.476  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        2.701  -0.695  -0.769  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        2.382   0.175  -1.899  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        0.931   0.652  -1.992  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -0.129  -0.450  -1.905  0.00  0.00    +0.086 C 
BRANCH  21  25
ATOM     25  C   LIG    1        4.133  -0.965  -0.608  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.997   0.196  -0.155  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        5.665   0.997  -1.097  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        6.462   2.065  -0.683  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        6.598   2.333   0.674  0.00  0.00    +0.123 A 
ATOM     30  F   LIG    1        7.363   3.358   1.071  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        5.953   1.551   1.624  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        5.156   0.482   1.211  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4