REMARK  Name = BDB021423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.687   1.398   2.408  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.487   0.437   1.659  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.191  -0.015   1.450  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -0.157  -1.098   0.543  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        0.451  -0.861  -0.823  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        1.722  -1.482  -0.919  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.724  -1.054  -0.098  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.961  -1.592  -0.511  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        5.161  -1.308   0.150  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1        5.119  -0.470   1.258  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.899   0.061   1.684  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.678  -0.220   1.026  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -0.898   0.611   2.203  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.284   2.032   1.742  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.325   2.553   2.585  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.941   2.640   3.476  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -1.708   2.143   0.258  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.665   1.133  -0.249  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.975   1.247   0.428  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -5.055   0.376  -0.187  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -4.931  -0.120  -1.496  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -5.955  -0.902  -2.046  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.109  -1.169  -1.311  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.246  -0.661  -0.021  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.671   0.141  -2.279  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.226   0.109   0.538  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.854   1.303  -1.701  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        6.464  -1.889  -0.333  0.00  0.00    +0.044 C 
BRANCH  28  29
ATOM     29  C   LIG    1        7.378  -0.882  -1.029  0.00  0.00    +0.118 C 
BRANCH  29  30
ATOM     30  C   LIG    1        6.878  -0.469  -2.396  0.00  0.00    +0.390 C 
ATOM     31  F   LIG    1        7.796   0.317  -3.006  0.00  0.00    -0.171 F 
ATOM     32  F   LIG    1        6.678  -1.544  -3.189  0.00  0.00    -0.171 F 
ATOM     33  F   LIG    1        5.728   0.230  -2.337  0.00  0.00    -0.171 F 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 8