REMARK  Name = BDB016512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.459  -4.647   3.086  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.424  -3.588   2.453  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -1.597  -2.689   2.536  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -2.056  -1.957   1.438  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -3.134  -1.077   1.589  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.811  -1.006   2.813  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.404  -1.796   3.887  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.455  -0.166   0.516  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.618  -0.356  -0.872  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -3.694   0.800  -1.542  0.00  0.00    -0.179 NA
ATOM     11  N   LIG    1       -3.541   1.729  -0.576  0.00  0.00    -0.269 N 
ATOM     12  C   LIG    1       -3.315   3.119  -0.926  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -1.836   3.365  -1.206  0.00  0.00    +0.183 C 
ATOM     14  O   LIG    1       -1.078   3.259   0.010  0.00  0.00    -0.376 OA
ATOM     15  C   LIG    1        0.019   2.340  -0.123  0.00  0.00    +0.178 C 
ATOM     16  C   LIG    1        0.803   2.269   1.192  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        0.278   1.310   2.158  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1       -0.127   1.689   3.003  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        0.503  -0.051   2.263  0.00  0.00    +0.266 C 
ATOM     20  O   LIG    1        0.216  -0.576   3.340  0.00  0.00    -0.268 OA
ATOM     21  C   LIG    1        1.082  -0.827   1.142  0.00  0.00    +0.168 A 
ATOM     22  C   LIG    1        1.144  -2.257   0.966  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1        1.971  -2.439  -0.123  0.00  0.00    +0.132 A 
ATOM     24  N   LIG    1        2.266  -1.204  -0.600  0.00  0.00    -0.266 N 
ATOM     25  N   LIG    1        1.736  -0.216   0.129  0.00  0.00    -0.164 NA
ATOM     26  C   LIG    1       -3.454   1.201   0.678  0.00  0.00    +0.117 A 
ATOM     27  C   LIG    1       -2.296  -2.630   3.751  0.00  0.00    +0.013 A 
ATOM     28  N   LIG    1        0.637  -3.374   1.608  0.00  0.00    -0.278 N 
ATOM     29  H   LIG    1        1.157  -4.232   1.463  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  24  30
ATOM     30  C   LIG    1        3.059  -0.896  -1.784  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1        4.221   0.048  -1.474  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        5.059   0.288  -2.726  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1        4.326   0.085  -3.935  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        2.986   0.558  -3.850  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1        2.185  -0.342  -2.919  0.00  0.00    +0.055 C 
ENDBRANCH  24  30
TORSDOF 1