REMARK  Name = BDB008914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.879  -0.388  -1.081  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.119  -0.524  -0.103  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.236  -1.348  -0.313  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.329  -2.061  -1.515  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.346  -1.929  -2.496  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.750  -1.094  -2.283  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.066   0.526  -0.847  0.00  0.00    +0.119 C 
BRANCH   7  12
ATOM      8  C   LIG    1        6.537   0.989   2.059  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1        6.198   0.476   0.735  0.00  0.00    -0.304 NA
ATOM     10  C   LIG    1        5.157   1.260   0.058  0.00  0.00    +0.099 C 
ATOM     11  C   LIG    1        3.762   1.287   0.722  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        2.829   0.206   0.375  0.00  0.00    -0.297 NA
ATOM     13  C   LIG    1        3.429  -1.134   0.297  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        4.576  -1.437   1.266  0.00  0.00    +0.031 C 
ATOM     15  C   LIG    1        5.939  -0.963   0.749  0.00  0.00    +0.085 C 
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   3  16
ATOM     16  C   LIG    1       -2.281  -1.500   0.768  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.712  -1.328   0.269  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -4.282   0.048   0.116  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -3.454   1.266   0.418  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.086   2.572  -0.074  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.581   2.607   0.217  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -6.296   1.433  -0.455  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -5.559   0.131  -0.297  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -6.322  -1.103  -0.611  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -7.482  -1.063  -1.009  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -5.653  -2.282  -0.430  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -6.158  -3.138  -0.635  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -4.374  -2.417   0.008  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4