REMARK  Name = BDB034529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.629   0.594  -0.471  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.151   0.083  -1.668  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.520   0.330  -2.799  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.058  -0.836  -1.332  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.859  -0.780   0.049  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        0.877  -1.551   0.644  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        0.092  -2.362  -0.183  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1        0.325  -2.419  -1.573  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1       -0.411  -3.231  -2.345  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        1.313  -1.643  -2.169  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.805   0.193   0.661  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.696   5.046  -1.523  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.069   4.015  -1.297  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.699   4.025  -1.226  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        4.255   4.920  -1.394  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.882   3.041  -0.716  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.704   3.283  -0.457  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.567   1.709  -0.370  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        5.837   1.519  -1.198  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.761   2.708  -0.982  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   7  21
ATOM     21  O   LIG    1       -0.859  -3.132   0.432  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.200  -2.817   0.002  0.00  0.00    +0.191 C 
ATOM     23  C   LIG    1       -2.952  -2.074   1.153  0.00  0.00    +0.097 C 
ATOM     24  C   LIG    1       -4.492  -2.207   1.015  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -4.948  -2.639  -0.377  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -4.319  -3.962  -0.808  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -2.890  -4.147  -0.307  0.00  0.00    +0.046 C 
BRANCH  23  28
ATOM     28  N   LIG    1       -2.386  -0.719   1.322  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -2.925   0.004   2.476  0.00  0.00    +0.090 C 
ATOM     30  C   LIG    1       -3.223   1.219   1.566  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -2.885   0.285   0.381  0.00  0.00    +0.090 C 
BRANCH  30  32
ATOM     32  C   LIG    1       -2.471   2.517   1.805  0.00  0.00    -0.005 C 
ATOM     33  C   LIG    1       -1.035   2.768   1.443  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1       -2.134   3.485   0.705  0.00  0.00    +0.004 C 
ENDBRANCH  30  32
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5