REMARK  Name = BDB039240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.724  -3.822   0.113  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.441  -2.469   0.052  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.046  -2.090  -0.140  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.755  -0.625   0.063  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.778   0.308   0.349  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.479   1.663   0.547  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        2.171   2.147   0.443  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        1.168   1.219   0.142  0.00  0.00    +0.071 A 
ATOM      9  N   LIG    1       -0.199   1.323  -0.039  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.680   0.058  -0.306  0.00  0.00    +0.200 A 
ATOM     11  N   LIG    1        0.288  -0.825  -0.330  0.00  0.00    -0.214 NA
ATOM     12  C   LIG    1        5.200  -0.172   0.503  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.437  -0.133  -0.046  0.00  0.00    +0.096 A 
ATOM     14  C   LIG    1        5.448  -1.465  -0.269  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        3.869  -4.699   0.161  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  N   LIG    1       -2.003  -0.174  -0.519  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1       -2.672  -0.943   0.576  0.00  0.00    +0.127 C 
ATOM     18  C   LIG    1       -2.446  -2.463   0.461  0.00  0.00    +0.126 C 
ATOM     19  N   LIG    1       -2.845  -2.938  -0.867  0.00  0.00    -0.299 N 
ATOM     20  C   LIG    1       -4.127  -3.444  -1.023  0.00  0.00    +0.213 C 
ATOM     21  O   LIG    1       -4.912  -3.572  -0.083  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -4.536  -3.848  -2.416  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1       -2.103  -2.270  -1.942  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1       -2.312  -0.741  -1.864  0.00  0.00    +0.127 C 
ENDBRANCH  10  16
BRANCH   1  26
ATOM     25  C   LIG    1        6.390  -5.466   0.184  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        6.061  -4.078   0.112  0.00  0.00    -0.454 OA
ENDBRANCH   1  26
BRANCH   9  27
ATOM     27  C   LIG    1       -0.969   2.567   0.033  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -1.582   2.935  -1.323  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -2.001   2.540   1.176  0.00  0.00    +0.060 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.445   3.920   1.604  0.00  0.00    -0.045 A 
ATOM     31  C   LIG    1       -3.662   4.449   1.154  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.061   5.730   1.539  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.249   6.493   2.376  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.038   5.975   2.831  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.636   4.695   2.447  0.00  0.00    +0.004 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH   9  27
TORSDOF 5