REMARK  Name = BDB018594
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.350  -1.071   1.030  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1       -2.390  -0.999  -0.012  0.00  0.00    -0.002 A 
ATOM      3  C   LIG    1       -3.532  -1.699   0.131  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -3.778  -2.551   1.319  0.00  0.00    +0.252 A 
ATOM      5  O   LIG    1       -4.824  -3.192   1.388  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1       -2.779  -2.543   2.282  0.00  0.00    -0.318 N 
ATOM      7  C   LIG    1       -2.946  -3.331   3.492  0.00  0.00    +0.152 C 
ATOM      8  C   LIG    1       -1.609  -1.820   2.122  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        2.394   1.704   2.261  0.00  0.00    +0.173 C 
ATOM     10  N   LIG    1        1.596   0.830   1.432  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1        1.825   0.473   0.126  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1        0.732  -0.297  -0.221  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -0.093  -0.363   0.929  0.00  0.00    +0.095 A 
ATOM     14  N   LIG    1        0.474   0.295   1.952  0.00  0.00    -0.171 NA
BRANCH  11  15
ATOM     15  C   LIG    1        2.966   0.886  -0.683  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        2.756   1.570  -1.887  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.839   1.970  -2.672  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.140   1.682  -2.263  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.359   0.991  -1.073  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.276   0.592  -0.286  0.00  0.00    +0.010 A 
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   2  21
ATOM     21  C   LIG    1       -2.317  -0.142  -1.216  0.00  0.00    -0.017 A 
ATOM     22  C   LIG    1       -2.358   1.253  -1.088  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -2.275   2.068  -2.219  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.153   1.496  -3.484  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.115   0.109  -3.622  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.197  -0.708  -2.493  0.00  0.00    +0.008 A 
ENDBRANCH   2  21
TORSDOF 3