REMARK  Name = BDB012896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.231   0.415  -1.369  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.278  -0.140  -0.534  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.070  -0.385  -1.031  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.802  -1.065   0.133  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.092  -0.482   1.353  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.358  -0.400   0.893  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.922   0.784  -2.502  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.632   0.645  -0.007  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.675   1.493  -1.040  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.449   1.407  -1.579  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.240   1.942  -2.417  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.587   0.582  -0.903  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.353   0.046   0.113  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.000  -0.188   0.064  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.838   0.410   0.858  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.277   1.687   1.579  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.232  -0.825   0.152  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.585  -0.011   0.638  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.072  -1.483  -0.728  0.00  0.00    +0.216 C 
ATOM     20  O   LIG    1       -3.641  -2.362  -1.478  0.00  0.00    -0.276 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.551  -1.028  -0.702  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -5.880   0.466  -0.967  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -7.049   0.319   0.026  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -6.278  -0.855   0.660  0.00  0.00    +0.013 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4