REMARK  Name = BDB017170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.233   0.224  -0.167  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        4.597  -0.875  -0.752  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        3.200  -1.014  -0.715  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.423  -0.025  -0.075  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.022  -0.159  -0.035  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        0.388  -1.261  -0.623  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.169  -2.236  -1.255  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.071   1.074   0.510  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.560  -2.115  -1.301  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        4.464   1.198   0.465  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        7.293   1.317   0.301  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        6.596   0.223  -0.282  0.00  0.00    -0.495 OA
ENDBRANCH   1  12
BRANCH   6  13
ATOM     13  C   LIG    1       -1.099  -1.452  -0.609  0.00  0.00    +0.167 C 
ATOM     14  O   LIG    1       -1.570  -2.471  -1.117  0.00  0.00    -0.292 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -2.001  -0.387   0.008  0.00  0.00    +0.074 C 
ATOM     16  C   LIG    1       -3.355  -1.008   0.397  0.00  0.00    +0.096 C 
ATOM     17  N   LIG    1       -4.256   0.005   0.983  0.00  0.00    -0.289 NA
ATOM     18  C   LIG    1       -4.522   1.079   0.010  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -3.223   1.764  -0.420  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1       -2.217   0.764  -0.978  0.00  0.00    +0.014 C 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.516  -0.642   1.424  0.00  0.00    +0.203 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.394   0.237   2.230  0.00  0.00    +0.078 C 
ATOM     23  N   LIG    1       -7.101   0.919   2.850  0.00  0.00    -0.195 NA
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 5