REMARK  Name = BDB017293
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.781  -1.164   1.255  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.166  -0.837  -0.045  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.491  -0.461  -0.337  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.474  -0.427   0.682  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1        4.810  -0.048   0.338  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        5.120   0.327  -0.989  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        4.134   0.281  -1.972  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.058  -0.776   1.988  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.837  -0.114  -1.648  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.738  -1.143   2.268  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -0.605  -1.575   1.620  0.00  0.00    +0.168 C 
ATOM     12  O   LIG    1       -0.733  -2.430   2.498  0.00  0.00    -0.292 OA
BRANCH  11  14
ATOM     13  C   LIG    1       -2.236  -1.754  -0.333  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -1.839  -0.974   0.943  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1       -1.726   0.541   0.711  0.00  0.00    +0.096 C 
ATOM     16  N   LIG    1       -2.959   1.173   0.197  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -3.744   0.262  -0.658  0.00  0.00    +0.085 C 
ATOM     18  C   LIG    1       -2.890  -0.802  -1.351  0.00  0.00    +0.019 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.790   1.669   1.319  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.177   2.988   1.874  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -4.034   3.770   0.861  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -4.965   2.546   0.802  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
BRANCH  13  24
ATOM     23  C   LIG    1       -3.373  -3.926  -1.104  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -3.148  -2.946   0.041  0.00  0.00    +0.001 C 
ENDBRANCH  13  24
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   6  25
ATOM     25  O   LIG    1        6.416   0.712  -1.217  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1        6.726   1.262  -2.493  0.00  0.00    +0.277 C 
ENDBRANCH   6  25
BRANCH   5  27
ATOM     27  C   LIG    1        5.911   0.005   1.385  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.933   1.282   2.114  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1        5.955   2.276   2.714  0.00  0.00    -0.196 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7