REMARK  Name = BDB053402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.514  -0.996   2.137  0.00  0.00    +0.121 C 
ATOM      2  C   LIG    1        0.630  -0.215   1.544  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        1.690  -1.068   1.224  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1        2.856  -0.579   0.657  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        2.964   0.798   0.399  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.906   1.657   0.774  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.390  -2.483   1.611  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.735   1.154   1.344  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -0.133  -2.454   1.797  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1  18
ATOM     10  C   LIG    1       -2.153  -0.828  -1.922  0.00  0.00    +0.044 A 
ATOM     11  N   LIG    1       -1.477  -0.946  -0.752  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -2.204  -0.573   0.320  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -3.507  -0.095   0.336  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -3.906   0.172   1.620  0.00  0.00    -0.230 NA
ATOM     15  C   LIG    1       -2.885  -0.145   2.396  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -4.186   0.031  -0.886  0.00  0.00    -0.020 A 
ATOM     17  C   LIG    1       -5.595   0.523  -1.006  0.00  0.00    +0.046 C 
ATOM     18  N   LIG    1       -1.813  -0.586   1.637  0.00  0.00    -0.305 N 
ATOM     19  C   LIG    1       -3.468  -0.358  -2.030  0.00  0.00    +0.029 A 
BRANCH  10  21
ATOM     20  C   LIG    1       -1.738  -2.737  -3.491  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -1.426  -1.286  -3.163  0.00  0.00    +0.052 C 
ENDBRANCH  10  21
BRANCH  15  22
ATOM     22  C   LIG    1       -2.862  -0.053   3.889  0.00  0.00    +0.071 C 
ATOM     23  C   LIG    1       -4.200   0.369   4.474  0.00  0.00    +0.012 C 
ENDBRANCH  15  22
ENDBRANCH   1  18
BRANCH   5  24
ATOM     24  C   LIG    1        4.157   1.337  -0.267  0.00  0.00    -0.007 A 
ATOM     25  C   LIG    1        4.173   1.784  -1.613  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        5.374   2.322  -2.120  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        6.533   2.402  -1.347  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.520   1.941  -0.041  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.344   1.418   0.493  0.00  0.00    +0.009 A 
BRANCH  25  30
ATOM     30  C   LIG    1        3.029   1.732  -2.541  0.00  0.00    +0.180 A 
ATOM     31  N   LIG    1        1.851   1.046  -2.386  0.00  0.00    -0.239 N 
ATOM     32  H   LIG    1        1.528   0.455  -1.630  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1        1.060   1.222  -3.455  0.00  0.00    -0.046 NA
ATOM     34  N   LIG    1        1.745   2.006  -4.266  0.00  0.00    -0.023 NA
ATOM     35  N   LIG    1        2.964   2.320  -3.727  0.00  0.00    -0.108 NA
ENDBRANCH  25  30
ENDBRANCH   5  24
TORSDOF 5