REMARK  Name = BDB020033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -2.357  -0.814  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -1.081  -3.300  -1.616  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -2.329  -3.808  -1.248  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.926  -3.367  -0.062  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.283  -2.425   0.764  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.020  -1.943   0.384  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.183  -0.552  -0.872  0.00  0.00    -0.303 N 
ATOM      8  H   LIG    1        0.509   0.041  -0.404  0.00  0.00    +0.150 HD
ATOM      9  C   LIG    1        0.891  -1.836  -1.251  0.00  0.00    +0.245 C 
ATOM     10  O   LIG    1        1.636  -2.534  -1.929  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.443   0.101  -1.179  0.00  0.00    +0.125 C 
BRANCH  11  15
ATOM     12  C   LIG    1        3.724   4.545  -3.195  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        2.857   3.724  -2.289  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        3.064   2.349  -2.162  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        2.223   1.604  -1.334  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        1.188   2.170  -0.647  0.00  0.00    -0.258 NA
ATOM     17  C   LIG    1        1.000   3.498  -0.800  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        1.792   4.304  -1.600  0.00  0.00    +0.023 A 
ENDBRANCH  11  15
BRANCH  11  19
ATOM     19  C   LIG    1        3.438  -0.273  -0.101  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1        3.210   0.099   1.349  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        4.375   0.686   0.603  0.00  0.00    +0.006 C 
ENDBRANCH  11  19
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  O   LIG    1       -2.848  -4.715  -2.128  0.00  0.00    -0.406 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.116  -5.276  -1.837  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1       -5.068  -4.320  -1.778  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1       -4.091  -5.955  -0.670  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1       -4.448  -6.140  -2.821  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   5  27
ATOM     27  C   LIG    1       -2.930  -1.983   2.064  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -2.865  -0.547   2.248  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -1.895   0.138   2.992  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -0.939  -0.319   3.718  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -0.960  -1.337   3.728  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -2.165   1.487   2.749  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -1.284   2.549   3.168  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -3.216   1.606   1.854  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -3.648   0.374   1.555  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8