REMARK  Name = BDB040861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.845   0.433   0.444  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        2.021   0.383   1.347  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.895  -0.889   1.219  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        3.324  -1.106  -0.183  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        2.195  -1.063  -1.137  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        1.315   0.198  -0.944  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.576  -0.593  -0.550  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        4.854   0.221  -1.667  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        3.849   0.618  -2.464  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        6.073   0.690  -2.021  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        7.114   0.330  -1.243  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        6.980  -0.485  -0.128  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        5.706  -0.945   0.207  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.458   0.848  -1.655  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        8.759   1.061  -2.823  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1        9.364   1.109  -0.654  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       10.197   1.599  -0.958  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        9.063   1.270   0.297  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.208  -0.503   0.876  0.00  0.00    +0.092 C 
BRANCH  19  28
ATOM     20  C   LIG    1       -7.308  -0.730  -1.024  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -6.780  -0.106   0.262  0.00  0.00    +0.156 C 
ATOM     22  N   LIG    1       -5.686   0.825  -0.055  0.00  0.00    -0.313 N 
ATOM     23  C   LIG    1       -4.345   0.271  -0.350  0.00  0.00    +0.127 C 
ATOM     24  C   LIG    1       -3.434   1.332   0.238  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.266   2.442   0.611  0.00  0.00    +0.142 C 
ATOM     26  F   LIG    1       -3.808   3.576   1.157  0.00  0.00    -0.204 F 
ATOM     27  C   LIG    1       -2.133   1.118   0.458  0.00  0.00    -0.014 C 
ATOM     28  C   LIG    1       -1.586  -0.269   0.197  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -2.604  -1.316   0.726  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -4.058  -1.139   0.216  0.00  0.00    +0.098 C 
ATOM     31  N   LIG    1       -5.005  -1.566   1.247  0.00  0.00    -0.309 N 
ATOM     32  H   LIG    1       -4.803  -2.378   1.818  0.00  0.00    +0.149 HD
ATOM     33  C   LIG    1       -5.550   2.098   0.482  0.00  0.00    +0.110 C 
ATOM     34  C   LIG    1       -6.333  -1.216   1.235  0.00  0.00    +0.234 C 
ATOM     35  O   LIG    1       -7.123  -1.827   1.954  0.00  0.00    -0.274 OA
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 4