REMARK  Name = BDB020947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.269  -0.641   1.141  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -2.494  -1.746   0.501  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1       -0.973  -1.603   0.760  0.00  0.00    +0.119 C 
ATOM      4  N   LIG    1       -0.532  -0.230   0.414  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.023   0.046  -0.853  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        0.022  -0.795  -1.748  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1       -1.245   0.830   1.157  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -2.472   0.313   1.940  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.216   1.081  -1.269  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1       -5.268   1.823  -0.588  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -4.301   1.284   0.196  0.00  0.00    -0.239 NA
ATOM     12  C   LIG    1       -4.247  -0.062   0.323  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -5.185  -0.872  -0.326  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1       -6.173  -0.300  -1.130  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  N   LIG    1       -8.003   2.251  -2.730  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -7.203   1.724  -2.075  0.00  0.00    +0.101 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1       -0.185  -2.769   0.133  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.376  -3.961   0.901  0.00  0.00    -0.393 OA
ATOM     19  H   LIG    1        0.257  -3.928   1.640  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH   3  17
BRANCH   5  20
ATOM     20  C   LIG    1        0.479   1.466  -1.085  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.697   1.485  -2.006  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.942   1.210  -1.198  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        3.548   2.301  -0.634  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        3.198   3.235  -0.791  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        4.669   2.221   0.156  0.00  0.00    +0.262 A 
ATOM     26  O   LIG    1        5.168   3.228   0.641  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        5.199   0.866   0.368  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1        4.515  -0.191  -0.241  0.00  0.00    +0.081 A 
ATOM     29  C   LIG    1        4.987  -1.495  -0.065  0.00  0.00    +0.029 A 
ATOM     30  C   LIG    1        6.125  -1.744   0.708  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        6.797  -0.682   1.312  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        6.332   0.620   1.140  0.00  0.00    +0.138 A 
ATOM     33  F   LIG    1        7.003   1.614   1.736  0.00  0.00    -0.205 F 
ATOM     34  N   LIG    1        3.366   0.003  -1.025  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7