REMARK  Name = BDB039423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.195   0.275   0.206  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.329   0.717   0.925  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.574   0.177   0.641  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.899   0.461   1.261  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.802  -0.368   0.474  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.122  -1.175  -0.420  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.561  -2.062  -1.124  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.708  -0.792  -0.346  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.637  -1.258  -1.080  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.379  -0.713  -0.799  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.531   5.281   2.040  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        3.965   3.981   1.629  0.00  0.00    +0.196 A 
ATOM     13  O   LIG    1        2.605   3.933   1.494  0.00  0.00    -0.422 OA
ATOM     14  C   LIG    1        2.355   2.646   1.113  0.00  0.00    +0.249 A 
ATOM     15  C   LIG    1        3.577   1.989   1.042  0.00  0.00    +0.134 A 
ATOM     16  C   LIG    1        3.582   0.639   0.671  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.313   0.080   0.408  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.141   0.847   0.500  0.00  0.00    +0.075 A 
ATOM     19  N   LIG    1        1.131   2.153   0.868  0.00  0.00    -0.211 NA
ATOM     20  N   LIG    1        4.595   2.850   1.375  0.00  0.00    -0.211 NA
BRANCH  16  21
ATOM     21  C   LIG    1        4.834  -0.191   0.570  0.00  0.00    +0.122 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.973  -0.842  -0.738  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        5.277   0.107  -1.815  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        5.778  -0.793  -2.935  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        6.299  -2.045  -2.239  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        6.092  -1.787  -0.755  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  18
BRANCH   5  27
ATOM     27  C   LIG    1       -6.212  -0.493   0.828  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -6.463  -1.820   1.543  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -5.929  -2.098   2.618  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -7.276  -2.727   0.912  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -7.414  -3.604   1.394  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -7.817  -2.657  -0.344  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1       -8.492  -3.586  -0.784  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -7.534  -1.420  -1.158  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -7.202  -0.213  -0.300  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4