REMARK  Name = BDB064027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.984  -4.256   0.591  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.598  -3.108   0.674  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.346  -1.845   0.434  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.629  -1.844   0.050  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.520  -0.772   0.690  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.616  -1.302   1.028  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.632  -2.654   1.023  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.375  -3.257   1.322  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.472  -0.664  -0.204  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.959   0.519  -0.758  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.835   1.592  -1.004  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.201   1.510  -0.726  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.939   2.646  -1.022  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        5.142   3.567  -1.512  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.708   0.314  -0.186  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        3.489   3.150  -1.657  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.843  -0.760   0.064  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.709  -0.576   1.374  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -1.543   0.419   1.203  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.085  -0.930   1.006  0.00  0.00    +0.124 C 
ATOM     21  C   LIG    1       -4.055  -0.151   1.914  0.00  0.00    +0.184 C 
ATOM     22  O   LIG    1       -4.083   1.259   1.684  0.00  0.00    -0.376 OA
ATOM     23  C   LIG    1       -4.747   1.613   0.474  0.00  0.00    +0.188 C 
ATOM     24  C   LIG    1       -3.774   1.713  -0.699  0.00  0.00    +0.188 C 
ATOM     25  O   LIG    1       -2.860   0.635  -0.873  0.00  0.00    -0.376 OA
ATOM     26  C   LIG    1       -3.318  -0.659  -0.492  0.00  0.00    +0.184 C 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3