REMARK  Name = BDB039376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.879   0.551   0.567  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.153   1.691   0.881  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.575   2.775   1.233  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.736   1.349   0.718  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.657   0.043   0.246  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.422  -0.537   0.003  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.241   0.203   0.241  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.369   1.539   0.710  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.619   2.121   0.954  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        4.026  -0.517   0.057  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.083  -0.411  -0.012  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.117  -1.335  -1.001  0.00  0.00    -0.247 NA
ATOM     13  C   LIG    1       -2.280  -1.931  -1.307  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1       -3.489  -1.658  -0.630  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.662  -2.339  -1.037  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.638  -3.266  -2.078  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.444  -3.530  -2.730  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.443  -0.712   0.422  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -2.283  -2.861  -2.339  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -2.221  -0.089   0.718  0.00  0.00    +0.034 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.660  -0.339   1.248  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.649   0.441   0.501  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -6.863   0.679   1.282  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -7.574   1.759   0.482  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -6.465   2.503  -0.252  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.180   1.774   0.118  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.936  -0.670  -1.161  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        8.903  -0.236  -0.660  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        8.047   0.558  -1.380  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        8.295   0.674  -2.354  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.718   0.780  -1.094  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.939   1.104  -1.987  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        6.324   0.584   0.380  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        7.009  -0.670   0.915  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        8.516  -0.522   0.772  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4