REMARK  Name = BDB032398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.681   2.091  -0.660  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1        0.965   2.753   0.349  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.374   2.442   0.585  0.00  0.00    +0.128 A 
ATOM      4  F   LIG    1       -1.027   3.114   1.545  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -1.040   1.473  -0.166  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.333   0.826  -1.187  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        1.014   1.126  -1.427  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        3.111   2.498  -0.938  0.00  0.00    +0.195 C 
BRANCH   8   9
ATOM      9  O   LIG    1        3.776   1.518  -1.738  0.00  0.00    -0.368 OA
BRANCH   9  10
ATOM     10  C   LIG    1        4.958   2.033  -2.358  0.00  0.00    +0.234 C 
BRANCH  10  13
ATOM     11  C   LIG    1        6.303  -0.241  -0.794  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        6.622   1.159  -0.659  0.00  0.00    -0.336 N 
ATOM     13  C   LIG    1        6.026   2.203  -1.330  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1        6.522   3.358  -0.921  0.00  0.00    -0.238 NA
ATOM     15  C   LIG    1        7.483   3.045   0.003  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        7.571   1.684   0.173  0.00  0.00    +0.106 A 
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  17
ATOM     17  C   LIG    1       -2.500   1.189   0.073  0.00  0.00    +0.139 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.704  -0.247   0.257  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.029  -0.620   0.920  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.993  -0.756   0.531  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.150  -2.129   0.913  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -5.444  -2.652   1.173  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.551  -4.007   1.580  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -4.495  -4.825   1.715  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -3.281  -4.322   1.438  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -6.563  -1.806   1.007  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.416  -0.492   0.580  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -3.063  -3.015   1.043  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -5.145   0.019   0.332  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1       -6.798  -4.590   1.864  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -7.381  -4.548   1.035  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -7.247  -4.068   2.609  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8