REMARK  Name = BDB013156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.597   0.025  -0.345  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.008  -0.784   0.665  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.655  -1.011   0.583  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.358  -1.823   1.639  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.443  -2.057   2.342  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.158  -0.474  -0.424  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.389   0.274  -1.345  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.486  -1.403   1.726  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.747   0.510  -1.278  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.731   1.014  -0.564  0.00  0.00    +0.106 A 
ATOM     11  N   LIG    1        6.084   0.625  -1.696  0.00  0.00    -0.254 NA
ATOM     12  C   LIG    1        4.769   0.312  -1.586  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.031   0.381  -0.405  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.726   0.775   0.742  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.081   1.097   0.666  0.00  0.00    +0.029 A 
BRANCH  10  17
ATOM     16  F   LIG    1        8.437   2.684  -0.367  0.00  0.00    -0.202 F 
ATOM     17  C   LIG    1        8.199   1.371  -0.654  0.00  0.00    +0.390 C 
ATOM     18  F   LIG    1        8.970   0.662   0.222  0.00  0.00    -0.202 F 
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  N   LIG    1       -1.507  -0.748  -0.415  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.944  -1.083   0.434  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.420  -0.100  -1.337  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.821  -0.569  -1.050  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1       -4.674   0.125  -0.197  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.487   1.420   0.501  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.690   1.374   1.443  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.679   0.470   0.903  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.957  -0.338   0.062  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.447  -1.498  -0.498  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.604  -2.224  -1.338  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.302  -1.768  -1.607  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5