REMARK  Name = BDB007969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.600  -1.686  -0.477  0.00  0.00    +0.230 C 
ATOM      2  N   LIG    1       -1.984  -1.744  -0.630  0.00  0.00    -0.288 N 
ATOM      3  O   LIG    1       -0.045  -2.452   0.313  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        0.165  -0.649  -1.332  0.00  0.00    +0.180 C 
BRANCH   4   8
ATOM      5  C   LIG    1        4.508  -0.363  -1.278  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        3.708  -1.511  -1.911  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        2.360  -1.742  -1.218  0.00  0.00    +0.085 C 
ATOM      8  N   LIG    1        1.586  -0.514  -0.959  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        2.185   0.682  -1.544  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.612   0.860  -1.024  0.00  0.00    +0.027 C 
BRANCH   5  12
ATOM     11  O   LIG    1        5.103  -1.964   0.445  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1        5.223  -0.824  -0.001  0.00  0.00    +0.166 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.130   0.120   0.722  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        6.423  -0.147   2.069  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        7.267   0.700   2.791  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        7.821   1.808   2.163  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        8.631   2.623   2.851  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        7.550   2.083   0.827  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        6.705   1.237   0.101  0.00  0.00    +0.014 A 
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   4   8
ENDBRANCH   1   4
BRANCH   2  20
ATOM     20  C   LIG    1       -2.709  -2.771   0.144  0.00  0.00    +0.180 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.725  -2.558   1.659  0.00  0.00    +0.358 C 
ATOM     22  F   LIG    1       -3.466  -3.540   2.238  0.00  0.00    -0.208 F 
ATOM     23  F   LIG    1       -3.359  -1.389   1.946  0.00  0.00    -0.208 F 
ENDBRANCH  20  21
ENDBRANCH   2  20
BRANCH   2  24
ATOM     24  C   LIG    1       -2.783  -0.894  -1.520  0.00  0.00    +0.182 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.702   0.036  -0.737  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1       -3.094   0.923   0.107  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1       -2.102   0.886   0.290  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1       -3.804   1.780   0.896  0.00  0.00    +0.257 A 
ATOM     29  O   LIG    1       -3.263   2.528   1.701  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1       -5.262   1.739   0.707  0.00  0.00    +0.064 A 
ATOM     31  C   LIG    1       -6.106   2.682   1.500  0.00  0.00    +0.202 C 
ATOM     32  O   LIG    1       -7.457   2.738   1.012  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1       -7.992   1.432   0.785  0.00  0.00    +0.166 C 
ATOM     34  C   LIG    1       -7.244   0.752  -0.360  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -5.752   0.847  -0.169  0.00  0.00    +0.056 A 
ATOM     36  N   LIG    1       -4.985  -0.025  -0.904  0.00  0.00    -0.237 NA
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 8