REMARK  Name = BDB032542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.926   0.333   0.501  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.464  -0.894   0.040  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        3.120  -1.819  -0.392  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.004  -0.862   0.145  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.630   0.412   0.574  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1       -0.707   0.730   0.746  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.660  -0.260   0.481  0.00  0.00    +0.166 A 
ATOM      8  O   LIG    1       -2.969   0.118   0.636  0.00  0.00    -0.478 OA
ATOM      9  C   LIG    1       -3.925  -0.842   0.129  0.00  0.00    +0.147 C 
ATOM     10  C   LIG    1       -4.135  -0.617  -1.383  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.790   0.733  -1.664  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -6.058   0.863  -0.946  0.00  0.00    -0.316 NA
ATOM     13  H   LIG    1       -6.473   1.769  -1.165  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -5.856   0.763   0.498  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -5.248  -0.586   0.873  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -3.441  -2.266   0.437  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.182  -2.545  -0.182  0.00  0.00    -0.482 OA
ATOM     18  C   LIG    1       -1.272  -1.550   0.071  0.00  0.00    +0.198 A 
ATOM     19  C   LIG    1        0.079  -1.849  -0.115  0.00  0.00    +0.181 A 
ATOM     20  F   LIG    1        0.458  -3.069  -0.518  0.00  0.00    -0.201 F 
ATOM     21  C   LIG    1        1.839   1.266   0.753  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1        8.138   0.952  -1.181  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        7.000   0.824  -0.738  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1        5.905   1.128  -1.506  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        6.097   1.425  -2.453  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        4.589   1.198  -1.111  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1        3.735   1.660  -1.867  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1        4.301   0.799   0.345  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1        5.352  -0.190   0.850  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        6.735   0.423   0.695  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1