REMARK  Name = BDB020029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.475  -0.195  -0.652  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.066   0.853  -1.367  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        2.116   1.593  -0.813  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        2.579   1.272   0.465  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.008   0.211   1.190  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1        0.958  -0.521   0.620  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.448  -0.380  -2.139  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -1.402   0.625  -2.222  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -0.640  -1.006  -1.214  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -0.817  -2.155  -0.824  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.639  -1.020  -2.652  0.00  0.00    +0.140 C 
BRANCH  11  16
ATOM     12  C   LIG    1       -5.801   0.905  -1.739  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -6.091   0.346  -0.491  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -5.286  -0.654   0.059  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1       -4.174  -1.099  -0.654  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -3.863  -0.548  -1.909  0.00  0.00    -0.023 A 
ATOM     17  C   LIG    1       -4.680   0.463  -2.441  0.00  0.00    +0.051 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -6.529   2.350  -3.482  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -6.677   1.870  -2.152  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
BRANCH  14  20
ATOM     20  O   LIG    1       -5.690  -1.107   1.285  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -4.879  -2.101   1.900  0.00  0.00    +0.277 C 
ENDBRANCH  14  20
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  O   LIG    1        2.599   2.579  -1.625  0.00  0.00    -0.406 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.638   3.405  -1.123  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1        3.246   4.058  -0.009  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        4.753   2.688  -0.871  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        3.939   4.329  -2.063  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH   3  22
BRANCH   5  27
ATOM     27  C   LIG    1        2.551  -0.158   2.555  0.00  0.00    +0.160 C 
BRANCH  27  28
ATOM     28  N   LIG    1        3.807  -0.866   2.438  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1        5.055  -0.249   2.549  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1        5.278   0.988   2.817  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1        6.286   1.146   2.833  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1        5.971  -1.276   2.293  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1        7.396  -1.097   2.163  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1        5.284  -2.446   1.994  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1        3.970  -2.199   2.087  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 9