REMARK  Name = BDB023896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.051   4.113  -2.188  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.223   3.431  -2.623  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.520   2.204  -2.039  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.491   1.442  -1.273  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.160   0.391  -0.437  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        0.326  -0.423   0.632  0.00  0.00    +0.101 A 
ATOM      7  N   LIG    1       -0.666  -1.218   1.089  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.744  -0.925   0.340  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.486   0.035  -0.585  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.436   0.655  -1.543  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -1.643   1.436  -2.606  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -0.958   3.973  -3.450  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.655  -0.437   1.236  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        2.868   0.015   0.584  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        4.066  -0.084   1.290  0.00  0.00    -0.305 N 
ATOM     16  C   LIG    1        5.060   0.398   0.478  0.00  0.00    +0.127 A 
ATOM     17  CA  LIG    1        4.446   0.780  -0.697  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1        4.175  -0.583   2.580  0.00  0.00    +0.093 A 
ATOM     19  C   LIG    1        3.068  -1.004   3.204  0.00  0.00    +0.019 A 
ATOM     20  N   LIG    1        3.090   0.526  -0.612  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1        1.800  -0.925   2.500  0.00  0.00    +0.015 A 
BRANCH  17  22
ATOM     22  C   LIG    1        5.075   1.371  -1.871  0.00  0.00    +0.357 C 
ATOM     23  O   LIG    1        4.499   1.748  -2.882  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  OXT LIG    1        6.421   1.502  -1.780  0.00  0.00    -0.476 OA
ATOM     25  HXT LIG    1        6.653   1.904  -2.643  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1       -3.006  -1.600   0.609  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -3.623  -1.138   1.938  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -4.504  -2.218   2.549  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1       -5.141  -2.959   1.513  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -4.227  -3.784   0.788  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -2.870  -3.123   0.567  0.00  0.00    +0.055 C 
ENDBRANCH   8  26
TORSDOF 4