REMARK  Name = BDB027847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.170  -0.643   0.001  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.469  -1.856  -0.661  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.798  -2.072  -1.060  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -2.054  -3.273  -1.705  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -1.145  -4.247  -1.980  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.116  -4.007  -1.582  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.785  -1.179  -0.840  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1       -2.492  -0.013  -0.217  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        0.497  -2.848  -0.931  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -1.203   0.277   0.216  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1        3.864   2.140  -0.575  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1        3.310   0.850   0.059  0.00  0.00    +0.029 C 
ATOM     13  N   LIG    1        3.503   0.972   1.532  0.00  0.00    -0.308 NA
ATOM     14  H   LIG    1        3.112   1.865   1.833  0.00  0.00    +0.123 HD
ATOM     15  C   LIG    1        2.788  -0.100   2.257  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1        1.294  -0.219   1.883  0.00  0.00    +0.120 C 
ATOM     17  N   LIG    1        1.156  -0.386   0.421  0.00  0.00    -0.326 N 
ATOM     18  C   LIG    1        1.802   0.707  -0.341  0.00  0.00    +0.126 C 
ATOM     19  C   LIG    1        4.125  -0.338  -0.486  0.00  0.00    +0.029 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -3.632   0.907  -0.025  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -3.481   2.301  -0.030  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -4.595   3.106   0.159  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1       -5.841   2.632   0.352  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1       -5.982   1.292   0.341  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -4.930   0.408   0.159  0.00  0.00    +0.030 A 
ENDBRANCH   8  20
TORSDOF 2