REMARK  Name = BDB039155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.316   2.277   0.246  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.574   1.187  -0.181  0.00  0.00    -0.260 N 
ATOM      3  C   LIG    1        5.177  -0.129  -0.420  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        5.262  -0.947   0.874  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.435  -0.876  -1.539  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        2.939  -0.880  -1.350  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1        2.166  -1.881  -1.958  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.774  -1.905  -1.837  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        0.184  -0.882  -1.088  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -1.122  -0.587  -0.762  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -1.126   0.543   0.030  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        0.103   0.992   0.192  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        0.925   0.127  -0.484  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        2.329   0.158  -0.611  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.132   1.251   0.043  0.00  0.00    +0.149 C 
ATOM     16  O   LIG    1        4.825   3.327   0.646  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.363   1.187   0.605  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -2.167   1.499   2.103  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -3.091   2.619   2.564  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -2.805   3.927   1.825  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -2.251   3.724   0.414  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -2.759   2.431  -0.216  0.00  0.00    +0.011 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        7.454   3.164   0.603  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        6.659   2.059   0.174  0.00  0.00    -0.454 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -2.280  -1.346  -1.199  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.657  -2.434  -0.197  0.00  0.00    +0.057 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.885  -3.187  -0.643  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -3.765  -4.322  -1.457  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.904  -5.003  -1.890  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.170  -4.555  -1.517  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.299  -3.425  -0.711  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.162  -2.743  -0.276  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 5