REMARK  Name = BDB016269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449   0.118  -0.874  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -0.527  -1.257  -1.233  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.743  -1.816  -1.045  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1        0.986  -3.177  -1.321  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.068  -3.966  -1.791  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.332  -3.426  -1.984  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        1.591  -0.808  -0.572  0.00  0.00    -0.252 N 
ATOM      8  C   LIG    1        2.959  -0.946  -0.243  0.00  0.00    +0.420 C 
ATOM      9  O   LIG    1        3.547  -2.010  -0.346  0.00  0.00    -0.223 OA
ATOM     10  C   LIG    1       -1.572  -2.078  -1.711  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        0.849   0.364  -0.485  0.00  0.00    +0.107 A 
ENDROOT
BRANCH   1  24
ATOM     12  C   LIG    1       -2.787  -1.031   2.873  0.00  0.00    +0.052 C 
ATOM     13  C   LIG    1       -3.333   0.081   1.981  0.00  0.00    +0.179 C 
ATOM     14  O   LIG    1       -2.681  -0.062   0.724  0.00  0.00    -0.486 OA
ATOM     15  C   LIG    1       -2.631   1.055  -0.064  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.614   2.058  -0.128  0.00  0.00    +0.076 A 
ATOM     17  C   LIG    1       -3.397   3.162  -0.975  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1       -2.251   3.265  -1.762  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -1.297   2.258  -1.721  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -4.842   2.090   0.561  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -5.432   2.901   0.406  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1       -5.449   1.214   1.402  0.00  0.00    +0.221 C 
ATOM     23  O   LIG    1       -6.565   1.506   1.840  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -1.478   1.150  -0.882  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -4.816  -0.096   1.753  0.00  0.00    +0.140 C 
ENDBRANCH   1  24
BRANCH   8  26
ATOM     26  O   LIG    1        3.457   0.245   0.178  0.00  0.00    -0.442 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.846   0.358   0.577  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        5.787   0.057  -0.595  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        5.148  -0.522   1.794  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        5.018   1.830   0.980  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 3