REMARK  Name = BDB060727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.109   0.617   0.490  0.00  0.00    +0.218 A 
ATOM      2  N   LIG    1       -1.080  -0.192   0.194  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        0.056   0.366  -0.268  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        0.197   1.716  -0.478  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.900   2.469  -0.160  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1       -2.042   1.949   0.322  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.115  -0.572  -0.576  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        2.461  -0.446  -0.282  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1        3.063  -1.594  -0.769  0.00  0.00    -0.150 N 
ATOM     10  N   LIG    1        4.378  -1.909  -0.737  0.00  0.00    -0.157 NA
ATOM     11  C   LIG    1        5.096  -1.010  -0.149  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        4.605   0.252   0.455  0.00  0.00    +0.024 A 
ATOM     13  N   LIG    1        2.193  -2.449  -1.326  0.00  0.00    -0.156 NA
ATOM     14  C   LIG    1        3.292   0.497   0.371  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        1.013  -1.845  -1.180  0.00  0.00    +0.147 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1       -4.461   0.890   0.863  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1       -3.277   0.061   1.013  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1       -3.435  -1.363   0.763  0.00  0.00    +0.132 C 
ENDBRANCH   1  17
TORSDOF 2