REMARK  Name = BDB060922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.137  -0.760  -0.822  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -0.712   0.332  -0.910  0.00  0.00    +0.126 A 
ATOM      3  N   LIG    1       -1.987  -0.193  -0.763  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -1.831  -1.552  -0.515  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1       -3.009  -2.322  -0.295  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -4.236  -1.752  -0.358  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -4.346  -0.317  -0.660  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.238   0.416  -0.853  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.566  -1.912  -0.547  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.427  -2.515  -0.144  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -5.750  -3.233   0.985  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -5.094  -3.485   2.282  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -6.967  -3.816   0.807  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -7.462  -3.487  -0.441  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -6.532  -2.712  -1.013  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -6.744  -2.196  -2.385  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   2  17
ATOM     17  N   LIG    1       -0.459   1.655  -1.154  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        0.457   1.843  -1.566  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.712   2.624  -0.068  0.00  0.00    +0.072 C 
ATOM     20  C   LIG    1       -0.910   4.019  -0.690  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1        0.393   4.809  -0.753  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        0.992   5.031   0.637  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        0.639   3.929   1.637  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        0.447   2.585   0.947  0.00  0.00    +0.022 C 
ENDBRANCH  17  19
ENDBRANCH   2  17
BRANCH   1  25
ATOM     25  C   LIG    1        1.621  -0.809  -0.938  0.00  0.00    +0.063 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.292  -0.976   0.426  0.00  0.00    +0.041 C 
BRANCH  26  30
ATOM     27  C   LIG    1        6.598  -0.808   0.075  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1        5.868   0.338   0.399  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        4.477   0.287   0.520  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        3.796  -0.918   0.320  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1        4.529  -2.064  -0.009  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1        5.922  -2.011  -0.129  0.00  0.00    +0.046 A 
BRANCH  27  34
ATOM     33  C   LIG    1        8.738  -1.759  -0.328  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        7.950  -0.618  -0.012  0.00  0.00    -0.495 OA
ENDBRANCH  27  34
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7