REMARK  Name = BDB027694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.786   1.035   1.154  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -1.479   1.337   2.338  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -2.836   1.015   2.337  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -3.534   1.318   3.497  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -3.016   1.885   4.618  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.703   2.167   4.591  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.452   0.443   1.291  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.701   0.169   0.213  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.902   1.917   3.493  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.392   0.447   0.110  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.357  -0.478  -0.938  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -4.725  -0.790  -0.925  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -5.297  -1.400  -2.032  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1       -4.612  -1.722  -3.147  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1       -3.299  -1.421  -3.155  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -2.641  -0.812  -2.098  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1        0.592   1.341   1.065  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.698   2.336   1.251  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.259   0.975  -0.186  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.636  -0.510  -0.192  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.293  -0.962  -1.500  0.00  0.00    +0.002 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.617  -0.277  -1.847  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.717  -0.523  -0.814  0.00  0.00    +0.120 C 
BRANCH  23  25
ATOM     24  O   LIG    1        6.182   0.851  -2.183  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        6.031   0.094  -1.238  0.00  0.00    +0.305 C 
BRANCH  25  26
ATOM     26  O   LIG    1        7.053  -0.264  -0.427  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        6.793  -0.868   0.295  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 9