REMARK  Name = BDB013089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.246  -1.127  -0.403  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.665  -0.258  -1.362  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.701  -0.118  -1.332  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.996   0.778  -2.318  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.105   1.138  -2.938  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.528  -0.799  -0.427  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.983  -1.599   0.451  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.156   0.483  -2.334  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.391  -1.735   0.448  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.939  -0.553   0.206  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        3.565  -0.325   0.078  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.691  -1.369  -0.261  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        3.243  -2.627  -0.473  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.560  -2.902  -0.362  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1        5.367  -1.862  -0.033  0.00  0.00    +0.134 A 
BRANCH  10  18
ATOM     16  O   LIG    1        4.420   2.211   1.311  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.521   1.743   1.063  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        5.852   0.480   0.549  0.00  0.00    -0.270 N 
ATOM     19  C   LIG    1        7.284   0.291   0.537  0.00  0.00    +0.114 C 
ATOM     20  C   LIG    1        7.840   1.699   0.560  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        6.811   2.470   1.364  0.00  0.00    +0.098 C 
ENDBRANCH  10  18
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -2.890  -0.607  -0.490  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.297  -0.263  -1.352  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.804  -1.409   0.302  0.00  0.00    +0.140 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.205  -0.895   0.102  0.00  0.00    -0.024 A 
ATOM     26  C   LIG    1       -5.667   0.246   0.749  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.005   1.105   1.761  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.980   2.282   1.764  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.264   1.835   1.271  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.958   0.713   0.545  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.841   0.080  -0.304  0.00  0.00    +0.046 A 
ATOM     32  C   LIG    1       -7.396  -1.056  -0.980  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -6.089  -1.536  -0.784  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5