REMARK  Name = BDB027672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.686  -0.313  -0.856  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        1.038  -0.145  -2.207  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        2.402   0.008  -2.461  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.762   0.165  -3.791  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.915   0.190  -4.854  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.608   0.057  -4.574  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        3.330   0.010  -1.495  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        2.898  -0.132  -0.233  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.126  -0.111  -3.289  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        1.610  -0.291   0.115  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.908  -0.123   0.842  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.271   0.069   0.568  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        6.184   0.069   1.611  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.846  -0.107   2.904  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.537  -0.290   3.163  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.553  -0.306   2.187  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -0.666  -0.489  -0.525  0.00  0.00    -0.323 N 
ATOM     18  H   LIG    1       -1.030  -1.262  -1.077  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.166  -0.550   0.863  0.00  0.00    +0.028 C 
ATOM     20  C   LIG    1       -0.659  -1.841   1.546  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -0.748   0.672   1.688  0.00  0.00    +0.031 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -2.731  -0.678   0.789  0.00  0.00    +0.031 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.813   1.596   1.333  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -3.643   0.486   0.280  0.00  0.00    -0.036 C 
ATOM     25  C   LIG    1       -3.161   1.107  -1.038  0.00  0.00    +0.010 C 
ATOM     26  C   LIG    1       -5.048  -0.117   0.031  0.00  0.00    +0.010 C 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5