REMARK  Name = BDB046841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.237  -0.807   0.933  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.074  -1.315  -0.411  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -0.479  -0.225  -1.315  0.00  0.00    +0.115 C 
ATOM      4  C   LIG    1       -1.911   0.240  -1.159  0.00  0.00    -0.052 C 
ATOM      5  C   LIG    1       -2.232   1.579  -1.773  0.00  0.00    +0.037 C 
ATOM      6  C   LIG    1       -3.387   2.292  -1.074  0.00  0.00    +0.040 C 
ATOM      7  C   LIG    1       -4.514   1.359  -0.716  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -4.245   0.006  -0.424  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -5.315  -0.805  -0.014  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -6.612  -0.295   0.092  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.864   1.041  -0.200  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.817   1.869  -0.595  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.855  -0.506  -0.542  0.00  0.00    -0.038 C 
ATOM     14  C   LIG    1       -2.508  -1.879  -0.012  0.00  0.00    +0.051 C 
ATOM     15  C   LIG    1       -1.106  -2.360  -0.432  0.00  0.00    +0.089 C 
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.971  -1.827   1.819  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.301  -2.309   1.234  0.00  0.00    +0.075 C 
BRANCH  17  26
ATOM     18  O   LIG    1        5.244   0.454   3.664  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1        4.794   0.146   2.567  0.00  0.00    +0.259 A 
ATOM     20  C   LIG    1        5.223   0.809   1.324  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.643   0.371   0.131  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        5.032   0.983  -1.063  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        5.980   2.011  -1.060  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.551   2.436   0.141  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1        3.686  -0.656   0.087  0.00  0.00    -0.234 NA
ATOM     26  C   LIG    1        3.337  -1.209   1.202  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        6.173   1.835   1.341  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        3.854  -0.841   2.416  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.566  -1.303   3.266  0.00  0.00    +0.170 HD
ENDBRANCH  17  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4