REMARK  Name = BDB002727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.264   0.442  -0.542  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        1.135   0.421  -0.538  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.910  -0.580   0.198  0.00  0.00    +0.143 C 
ATOM      4  C   LIG    1        3.395  -0.315   0.272  0.00  0.00    -0.027 A 
ATOM      5  C   LIG    1        3.981   0.794  -0.362  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1        5.361   1.013  -0.251  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        6.160   0.122   0.463  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        5.588  -0.988   1.078  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        3.119   1.775  -1.111  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        4.213  -1.205   0.985  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.839   1.116  -1.616  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -0.893   1.099  -1.372  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.957  -0.398   0.516  0.00  0.00    +0.239 C 
BRANCH  13  19
ATOM     14  C   LIG    1       -5.251   0.913   2.283  0.00  0.00    +0.070 C 
ATOM     15  C   LIG    1       -4.299   0.301   1.319  0.00  0.00    +0.090 A 
ATOM     16  C   LIG    1       -4.562  -0.356   0.090  0.00  0.00    +0.169 A 
ATOM     17  C   LIG    1       -3.317  -0.738  -0.397  0.00  0.00    +0.067 A 
ATOM     18  C   LIG    1       -2.938  -1.469  -1.637  0.00  0.00    +0.068 C 
ATOM     19  N   LIG    1       -2.408  -0.249   0.513  0.00  0.00    -0.257 N 
ATOM     20  N   LIG    1       -2.988   0.324   1.589  0.00  0.00    -0.173 NA
BRANCH  16  21
ATOM     21  N   LIG    1       -5.845  -0.589  -0.522  0.00  0.00    +0.060 N 
ATOM     22  O   LIG    1       -5.866  -1.221  -1.587  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -6.841  -0.148   0.064  0.00  0.00    -0.126 OA
ENDBRANCH  16  21
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 3