REMARK  Name = BDB027618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.053  -1.698   0.242  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.704  -2.941   0.148  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        3.074  -2.886  -0.115  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        3.724  -4.106  -0.220  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.154  -5.333  -0.084  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        1.839  -5.350   0.188  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.745  -1.735  -0.259  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        3.045  -0.599  -0.125  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        1.080  -4.201   0.311  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.726  -0.545   0.122  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.769   0.677  -0.273  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        3.106   1.912  -0.191  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.828   3.086  -0.338  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.156   3.126  -0.560  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.790   1.939  -0.637  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.152   0.715  -0.504  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.329  -1.673   0.484  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -0.791  -2.250  -0.215  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -2.498  -0.911   1.151  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -1.091  -0.423   0.728  0.00  0.00    +0.028 C 
ATOM     21  C   LIG    1       -0.505   0.353   1.921  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -1.177   0.409  -0.584  0.00  0.00    +0.030 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.711   1.847  -0.485  0.00  0.00    +0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.192   1.990  -0.248  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1       -4.120   1.469  -1.161  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -5.491   1.613  -0.941  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.949   2.288   0.188  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.038   2.824   1.095  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.666   2.681   0.876  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6