REMARK  Name = BDB055376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.178   0.439  -0.282  0.00  0.00    +0.198 A 
ATOM      2  N   LIG    1        0.683   0.338   1.000  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1       -0.182   0.261   2.163  0.00  0.00    +0.155 C 
ATOM      4  C   LIG    1        2.050   0.340   1.236  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1        2.552   0.181   2.347  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.908   0.547   0.043  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        2.284   0.681  -1.133  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.934   0.623  -1.325  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.372   0.607   0.133  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        5.174  -0.533   0.288  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        4.584  -1.910   0.396  0.00  0.00    +0.066 C 
ATOM     12  N   LIG    1        6.531  -0.471   0.342  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        7.110   0.746   0.255  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.402   1.923   0.104  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        5.014   1.849   0.039  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  N   LIG    1       -1.170   0.363  -0.523  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.309   0.715  -1.471  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.814  -0.944  -0.450  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.223  -0.840  -0.971  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -4.238  -0.216  -0.249  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.188   0.483   1.058  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.687   0.632   1.319  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.395   0.559   0.061  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.523  -0.100  -0.766  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1       -5.862  -0.587  -2.009  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1       -4.862  -1.215  -2.739  0.00  0.00    +0.127 A 
ATOM     27  F   LIG    1       -5.143  -1.706  -3.953  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -3.559  -1.345  -2.239  0.00  0.00    +0.044 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4