REMARK  Name = BDB039399
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.059  -0.126  -0.332  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -1.216  -0.844   0.051  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.465  -0.253  -0.071  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.814  -0.804   0.242  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.691   0.330  -0.014  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.008   1.392  -0.589  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.461   2.423  -1.047  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.584   1.039  -0.571  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.494   1.785  -0.965  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.232   1.193  -0.838  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        2.091  -4.612   1.439  0.00  0.00    +0.150 C 
ATOM     12  N   LIG    1        3.007  -3.633   0.904  0.00  0.00    -0.335 N 
ATOM     13  C   LIG    1        2.631  -2.414   0.399  0.00  0.00    +0.145 A 
ATOM     14  C   LIG    1        3.778  -1.755  -0.018  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        3.605  -0.478  -0.570  0.00  0.00    +0.068 A 
ATOM     16  N   LIG    1        2.332   0.011  -0.661  0.00  0.00    -0.230 NA
ATOM     17  C   LIG    1        1.292  -0.727  -0.212  0.00  0.00    +0.162 A 
ATOM     18  C   LIG    1        4.874  -2.622   0.255  0.00  0.00    +0.031 A 
ATOM     19  N   LIG    1        1.370  -1.959   0.329  0.00  0.00    -0.210 NA
ATOM     20  C   LIG    1        4.369  -3.772   0.823  0.00  0.00    +0.088 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.736   0.398  -1.068  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  N   LIG    1        5.130   1.456  -0.127  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1        6.105   2.374  -0.712  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1        6.623   3.138   0.496  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1        6.420   2.197   1.678  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        5.764   0.954   1.092  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  17
BRANCH   5  27
ATOM     27  C   LIG    1       -6.142   0.178  -0.033  0.00  0.00    +0.163 C 
ATOM     28  C   LIG    1       -6.641  -0.232  -1.428  0.00  0.00    +0.240 C 
ATOM     29  O   LIG    1       -5.987  -0.925  -2.206  0.00  0.00    -0.273 OA
ATOM     30  N   LIG    1       -7.938   0.115  -1.730  0.00  0.00    -0.255 N 
ATOM     31  H   LIG    1       -8.275  -0.188  -2.634  0.00  0.00    +0.158 HD
ATOM     32  C   LIG    1       -8.865   0.707  -0.910  0.00  0.00    +0.219 C 
ATOM     33  O   LIG    1      -10.037   0.818  -1.258  0.00  0.00    -0.275 OA
ATOM     34  C   LIG    1       -8.390   1.121   0.463  0.00  0.00    +0.098 C 
ATOM     35  C   LIG    1       -6.897   1.409   0.467  0.00  0.00    +0.041 C 
ENDBRANCH   5  27
TORSDOF 4