REMARK  Name = BDB053857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.185  -0.200  -1.703  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.436   0.079  -0.525  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        0.473  -0.151   0.508  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.764   0.753  -0.180  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1       -2.921   0.225  -1.069  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1       -4.233   0.985  -0.739  0.00  0.00    +0.055 C 
ATOM      7  C   LIG    1       -3.994   2.262   0.073  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -2.857   3.032  -0.423  0.00  0.00    -0.315 NA
ATOM      9  H   LIG    1       -3.045   3.279  -1.399  0.00  0.00    +0.122 HD
ATOM     10  C   LIG    1       -1.601   2.268  -0.387  0.00  0.00    +0.096 C 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.161  -1.285  -0.926  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1       -3.308  -2.110  -2.058  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -3.520  -3.480  -1.918  0.00  0.00    +0.159 A 
ATOM     14  F   LIG    1       -3.653  -4.241  -3.014  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1       -3.597  -4.054  -0.658  0.00  0.00    +0.158 A 
ATOM     16  F   LIG    1       -3.793  -5.372  -0.525  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1       -3.476  -3.264   0.478  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -3.264  -1.888   0.345  0.00  0.00    +0.009 A 
ENDBRANCH   5  11
BRANCH   5  19
ATOM     19  O   LIG    1       -2.637   0.532  -2.450  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -1.741   0.174  -2.638  0.00  0.00    +0.211 HD
ENDBRANCH   5  19
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1        0.142  -0.036   1.911  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        1.160   0.270   2.982  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        0.140   1.299   2.611  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1        1.734  -0.823   0.167  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.842   0.164  -0.082  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        4.261  -0.122  -0.132  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        4.910   1.095  -0.382  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        6.302   1.218  -0.490  0.00  0.00    +0.026 A 
ATOM     29  C   LIG    1        7.075   0.067  -0.344  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        6.475  -1.164  -0.103  0.00  0.00    +0.016 A 
ATOM     31  N   LIG    1        3.945   2.065  -0.501  0.00  0.00    -0.360 N 
ATOM     32  H   LIG    1        4.131   3.038  -0.702  0.00  0.00    +0.165 HD
ATOM     33  C   LIG    1        5.079  -1.275  -0.000  0.00  0.00    +0.027 A 
ATOM     34 BR   LIG    1        4.372  -3.010   0.296  0.00  0.00    -0.050 Br
ATOM     35  C   LIG    1        2.706   1.521  -0.329  0.00  0.00    +0.088 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 6