REMARK  Name = BDB009201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.288   0.041   1.599  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.559   0.670   0.579  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.523   1.506   0.894  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.842   1.723   2.243  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.127   1.082   3.257  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.931   0.233   2.936  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        3.259  -0.408   0.279  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        3.084   0.532  -0.048  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.429  -0.863   1.287  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        2.552  -1.886   1.948  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.849   1.032  -1.681  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        5.166  -0.370  -1.236  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1        4.387  -1.058  -0.276  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.748  -2.365   0.083  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        5.862  -2.986  -0.488  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        6.620  -2.302  -1.424  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        7.688  -2.895  -1.974  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.284  -1.009  -1.802  0.00  0.00    +0.043 A 
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -1.309   2.184  -0.206  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.821   2.039  -0.063  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.471   0.718  -0.335  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.664  -0.466  -0.791  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.522  -1.607  -1.346  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -4.736  -1.860  -0.461  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.604  -0.606  -0.349  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.802   0.652  -0.154  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.558   1.859   0.264  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.774   1.839   0.421  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.817   2.993   0.456  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.315   3.828   0.743  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.470   3.103   0.308  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 4