REMARK  Name = BDB060913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.969  -0.657   0.311  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        3.264   0.336   0.904  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        1.870   0.492   0.659  0.00  0.00    +0.140 A 
ATOM      4  N   LIG    1        1.256  -0.432  -0.180  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1       -0.087  -0.090  -0.231  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.188   1.072   0.518  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.963  -1.445  -0.827  0.00  0.00    +0.095 A 
ATOM      8  N   LIG    1        1.023   1.405   1.083  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        3.282  -1.576  -0.607  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.506  -3.243   1.547  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        6.056  -1.949   1.078  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        5.369  -0.826   0.550  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.362   0.096   0.304  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        6.399   1.467  -0.238  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        7.561  -0.441   0.657  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.375  -1.724   1.137  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  N   LIG    1       -1.026  -0.773  -0.955  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -1.887  -0.251  -1.128  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.367  -2.151  -0.549  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -2.439  -2.138   0.559  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.852  -2.187  -0.010  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.091  -3.454  -0.834  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -2.820  -4.016  -1.472  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -1.825  -2.913  -1.807  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   6  25
ATOM     25  C   LIG    1       -1.385   1.919   0.776  0.00  0.00    +0.063 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.516   3.047  -0.248  0.00  0.00    +0.041 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.773   3.853  -0.031  0.00  0.00    -0.047 A 
ATOM     28  C   LIG    1       -3.920   3.604  -0.797  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -5.087   4.338  -0.580  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.120   5.324   0.405  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.986   5.577   1.174  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.817   4.845   0.958  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6