REMARK  Name = BDB042528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.833  -1.023  -2.389  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.338   0.013  -1.941  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.944   0.047  -1.420  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -1.605   1.250  -0.903  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -3.136   1.110  -0.794  0.00  0.00    +0.124 C 
ATOM      6  N   LIG    1       -3.514  -0.072  -0.005  0.00  0.00    -0.327 N 
ATOM      7  C   LIG    1       -2.611  -1.239  -0.062  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -1.701  -1.203  -1.304  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.739  -0.157   0.641  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -4.969  -1.095   1.661  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -6.199  -1.173   2.313  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -6.372  -2.080   3.284  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -7.245  -0.327   1.979  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1       -7.051   0.613   0.977  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -5.813   0.694   0.322  0.00  0.00    +0.023 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        1.112   1.323  -1.946  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.582   1.153  -2.344  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.432   0.557  -1.246  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.254  -0.780  -0.974  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.558  -1.309  -1.504  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        3.934  -1.499  -0.013  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        3.699  -2.686   0.177  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        4.949  -0.748   0.764  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        5.142   0.614   0.481  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        6.098   1.342   1.203  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        6.853   0.717   2.198  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.656  -0.635   2.475  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.707  -1.363   1.759  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        5.554  -2.659   2.062  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.346   1.265  -0.564  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4