REMARK  Name = BDB054800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.979   0.527   1.416  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1        0.463   0.092   2.643  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1        1.284  -0.485   3.537  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -0.880   0.244   2.967  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -1.742   0.845   2.052  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.257   1.291   0.813  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.106   1.122   0.502  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        3.104   0.705   0.092  0.00  0.00    +0.217 C 
ATOM      9  N   LIG    1        2.358   0.325   1.192  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        2.842  -0.159   1.942  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        2.696   1.327  -0.882  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        4.564   0.299   0.241  0.00  0.00    +0.096 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.354   0.493  -1.054  0.00  0.00    +0.017 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.847   0.210  -0.894  0.00  0.00    +0.074 C 
BRANCH  14  16
ATOM     15  C   LIG    1        8.657  -1.605  -0.750  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        7.189  -1.263  -0.753  0.00  0.00    +0.130 C 
ATOM     17  O   LIG    1        6.336  -2.139  -0.628  0.00  0.00    -0.298 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1       -2.191   1.923  -0.196  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.002   0.886  -0.963  0.00  0.00    +0.087 A 
ATOM     20  C   LIG    1       -4.382   0.518  -0.482  0.00  0.00    +0.059 A 
ATOM     21  N   LIG    1       -5.002   1.182   0.575  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1       -4.725   2.155   0.674  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1       -6.421   0.967   0.847  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1       -6.754  -0.511   0.670  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -6.336  -1.005  -0.720  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -4.979  -0.498  -1.126  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -4.327  -1.142  -2.288  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -4.860  -2.064  -2.897  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -3.112  -0.628  -2.654  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -2.639  -1.064  -3.439  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -2.427   0.346  -1.998  0.00  0.00    -0.174 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 7