REMARK  Name = BDB042572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.519  -1.843  -0.335  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.852  -1.650  -0.161  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.391  -1.800   1.190  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1        2.540  -0.826   1.449  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.535  -0.825   0.316  0.00  0.00    -0.038 C 
ATOM      6  C   LIG    1        3.170  -1.270  -0.900  0.00  0.00    -0.004 C 
ATOM      7  C   LIG    1        1.807  -1.784  -1.258  0.00  0.00    +0.135 C 
ATOM      8  O   LIG    1       -1.277  -2.041   0.615  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.897  -0.312   0.580  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.046  -0.989   0.138  0.00  0.00    +0.131 A 
ATOM     11  F   LIG    1        5.941  -2.140  -0.543  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        7.326  -0.503   0.403  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        7.484   0.678   1.126  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        6.358   1.370   1.582  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.074   0.874   1.311  0.00  0.00    +0.030 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.515   2.585   2.328  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1        6.643   3.566   2.933  0.00  0.00    -0.191 NA
ENDBRANCH  14  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.036  -1.813  -1.768  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.564  -1.888  -1.857  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.123   0.345   2.240  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.080   1.318   1.092  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.463   1.003  -0.140  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -4.451   1.962  -1.173  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -3.798   1.629  -2.463  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.231   0.376  -2.556  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.802   0.175  -3.451  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.231  -0.566  -1.557  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -3.746   2.401  -3.412  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.045   3.208  -0.981  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -5.051   4.143  -1.942  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.655   3.520   0.229  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -3.826  -0.300  -0.384  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -5.672   2.582   1.260  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5