REMARK  Name = BDB042608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.627   1.649   1.666  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.006   1.396   0.633  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.287   0.895   0.660  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        1.071   0.539  -0.527  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        2.238  -0.412  -0.220  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1        3.106   0.082   0.854  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        4.443  -0.257   1.031  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1        5.096   0.191   1.975  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.469   0.924   1.874  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        0.951   0.724   1.958  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        5.087  -1.171  -0.017  0.00  0.00    +0.075 C 
ATOM     12  C   LIG    1        5.503  -0.356  -1.246  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        6.957   0.002  -0.981  0.00  0.00    +0.001 C 
ATOM     14  C   LIG    1        7.520  -1.267  -0.369  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        6.385  -1.836   0.479  0.00  0.00    +0.013 C 
ENDBRANCH   7  11
BRANCH   2  16
ATOM     16  C   LIG    1       -1.624   1.624  -0.740  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.013   2.271  -0.676  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.119   1.289  -0.362  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -4.160   0.781   0.918  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.446   1.070   1.591  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -5.093  -0.116   1.388  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -5.073  -0.548   2.534  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -6.133  -0.542   0.421  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -6.101  -0.021  -0.883  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -7.079  -0.417  -1.803  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -8.072  -1.322  -1.418  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -8.084  -1.827  -0.120  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -9.040  -2.694   0.236  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.124  -1.447   0.808  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -5.049   0.926  -1.261  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4