REMARK  Name = BDB049637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.071  -0.564  -0.646  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.555   0.717  -0.340  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.932   0.797  -0.308  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.399  -0.076  -0.106  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.809   1.662  -0.103  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.721   1.958  -0.189  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.081   1.781   0.096  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -5.918   2.889   0.211  0.00  0.00    +0.160 A 
ATOM      9  F   LIG    1       -7.216   2.702   0.486  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -5.417   4.172   0.038  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -6.227   5.234   0.147  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -4.073   4.362  -0.255  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.226   3.255  -0.372  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.261  -0.357  -0.210  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.461  -0.930   0.871  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.972  -0.576   0.837  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.379  -0.844  -0.552  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.196  -0.139  -1.639  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.668  -0.530  -1.535  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        3.900   0.947   0.029  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        2.987   2.052   0.570  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.124   0.796   0.967  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.400  -0.224   1.343  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.179  -0.181   0.436  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.855  -1.494  -1.471  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.813  -2.357  -0.680  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.453  -2.921   0.552  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.355  -3.718   1.259  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.622  -3.972   0.738  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.987  -3.434  -0.493  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.087  -2.636  -1.202  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7