REMARK  Name = BDB050142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.495   0.829  -0.275  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.250   0.458  -0.137  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.460   0.404  -1.307  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.010   0.705  -2.575  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.918   0.552  -3.493  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.030   0.151  -2.802  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.349   1.127  -2.685  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.789   0.035  -1.443  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.103   1.207  -1.583  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.691  -0.352  -0.356  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        4.025   0.079  -0.367  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        4.909  -0.295   0.656  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        4.461  -1.111   1.699  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.138  -1.551   1.716  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.262  -1.175   0.694  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.306   0.197   0.589  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        6.776   0.893  -0.292  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.054  -0.208   1.631  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        7.933   0.188   1.453  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.220   0.880   0.894  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.546   0.816   1.658  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.318  -0.061   1.186  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.084   1.764   0.923  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.648   0.356   0.539  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -2.934  -1.512   0.825  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -3.886  -2.431   1.353  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.594  -3.322   1.094  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8