REMARK  Name = BDB016742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.099   0.922  -1.603  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        0.802   0.842  -1.007  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.045   1.476  -1.906  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -1.422   1.618  -1.694  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -1.984   1.085  -0.519  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -1.129   0.450   0.399  0.00  0.00    +0.005 A 
ATOM      7  N   LIG    1        0.758   1.869  -2.939  0.00  0.00    -0.276 N 
ATOM      8  H   LIG    1        0.481   2.355  -3.783  0.00  0.00    +0.189 HD
ATOM      9  C   LIG    1        0.250   0.316   0.175  0.00  0.00    +0.012 A 
ATOM     10  N   LIG    1        2.055   1.561  -2.782  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.458   1.228  -0.215  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -4.375   0.023  -0.151  0.00  0.00    +0.081 C 
ATOM     13  C   LIG    1       -5.390  -0.114   0.949  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -5.471  -1.474   1.290  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -6.308  -1.962   2.271  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -7.104  -1.036   2.946  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -7.045   0.332   2.624  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -4.601  -2.208   0.482  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1       -4.492  -3.210   0.493  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -6.186   0.799   1.622  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -3.935  -1.398  -0.424  0.00  0.00    +0.228 C 
ATOM     22  O   LIG    1       -3.168  -1.758  -1.301  0.00  0.00    -0.274 OA
ATOM     23  C   LIG    1       -4.512   1.004  -1.279  0.00  0.00    +0.031 C 
ENDBRANCH   5  11
BRANCH   1  25
ATOM     24  C   LIG    1        4.518   0.462  -1.586  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1        3.300   0.394  -1.020  0.00  0.00    +0.031 C 
BRANCH  24  31
ATOM     26  C   LIG    1        7.552  -0.344   2.325  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1        7.218  -0.481   0.870  0.00  0.00    +0.039 A 
ATOM     28  N   LIG    1        8.115  -1.120   0.085  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        7.822  -1.229  -1.228  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        6.665  -0.732  -1.804  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1        5.737  -0.092  -0.985  0.00  0.00    -0.022 A 
ATOM     32  C   LIG    1        6.028   0.046   0.375  0.00  0.00    +0.031 A 
ENDBRANCH  24  31
ENDBRANCH   1  25
TORSDOF 3