REMARK  Name = BDB020574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724  -1.035  -0.446  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.673  -1.788   0.212  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.712  -3.156   0.758  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.546  -3.170   1.952  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.752  -2.476   2.001  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -4.006  -1.405   0.937  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -5.005  -1.930  -0.089  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.614  -2.712   2.852  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.345  -4.274   2.873  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.772  -0.973   0.303  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.467   0.232  -0.280  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.226   0.212  -0.728  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  22
ATOM     13  C   LIG    1        3.981   0.948   0.136  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        2.759   1.380   0.522  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        1.690   0.606   0.206  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.749  -0.617  -0.482  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        3.045  -1.040  -0.862  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.207  -2.255  -1.547  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.107  -3.050  -1.855  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        0.834  -2.639  -1.482  0.00  0.00    +0.133 A 
ATOM     21  F   LIG    1       -0.199  -3.435  -1.803  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        0.627  -1.436  -0.797  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.161  -0.247  -0.552  0.00  0.00    +0.055 A 
BRANCH  13  28
ATOM     24  C   LIG    1        8.542   2.957   0.739  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1        7.094   2.654   0.736  0.00  0.00    +0.056 A 
ATOM     26  N   LIG    1        6.204   3.514   1.324  0.00  0.00    -0.241 NA
ATOM     27  C   LIG    1        5.023   2.964   1.147  0.00  0.00    +0.205 A 
ATOM     28  N   LIG    1        5.094   1.769   0.467  0.00  0.00    -0.290 N 
ATOM     29  C   LIG    1        6.432   1.569   0.200  0.00  0.00    +0.117 A 
ENDBRANCH  13  28
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  C   LIG    1       -3.402   1.404  -0.398  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -2.770   2.668   0.212  0.00  0.00    +0.039 C 
ATOM     32  C   LIG    1       -2.166   3.544  -0.874  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -3.153   4.006  -1.799  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.191   3.075  -2.098  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -3.788   1.626  -1.870  0.00  0.00    +0.039 C 
ENDBRANCH  11  30
TORSDOF 3