REMARK  Name = BDB009048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.576   1.413   0.665  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.212   1.611   0.389  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.632   2.258   1.309  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.073   2.754   2.503  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.280   2.566   2.782  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.100   1.893   1.869  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        4.488   0.847   0.531  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.682   0.447  -0.300  0.00  0.00    +0.251 C 
ATOM      9  N   LIG    1        2.326   0.713  -0.303  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.791   0.372  -1.098  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.200  -0.402  -1.419  0.00  0.00    +0.075 A 
ATOM     12  C   LIG    1        3.385  -0.916  -2.439  0.00  0.00    +0.136 A 
ATOM     13  F   LIG    1        2.072  -0.635  -2.487  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        3.905  -1.728  -3.453  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1        5.264  -2.034  -3.456  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1        6.083  -1.516  -2.456  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        7.388  -1.808  -2.462  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        5.568  -0.709  -1.441  0.00  0.00    +0.054 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -2.098   2.509   1.022  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.744   1.507   0.068  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.058   0.121   0.544  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.821  -0.273   1.980  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.385  -1.652   2.336  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.122  -2.650   1.213  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -3.798  -2.191  -0.086  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -3.531  -0.739  -0.378  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.785  -0.281  -1.770  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -4.238  -1.028  -2.634  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.486   1.033  -2.028  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -3.632   1.369  -2.978  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.952   1.921  -1.148  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4