REMARK  Name = BDB012769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.090   1.646   0.992  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.982   1.919   0.157  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.301   1.266  -1.113  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.831   1.340  -1.210  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        3.137   2.647  -0.477  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        2.144   2.626   0.677  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.050   1.952   2.182  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.053  -0.238   0.014  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -2.822   0.446  -1.115  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -1.759   1.209  -0.818  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -1.445   1.878  -1.512  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.234   0.982   0.422  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.097   0.077   1.007  0.00  0.00    +0.057 A 
BRANCH   8  14
ATOM     14  C   LIG    1       -4.210  -1.196   0.124  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -4.069  -2.345  -0.880  0.00  0.00    +0.014 C 
BRANCH  14  17
ATOM     16  C   LIG    1       -6.763  -1.327   0.304  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -5.556  -0.456  -0.013  0.00  0.00    +0.006 C 
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1        3.466   0.205  -0.550  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        3.015  -0.193   0.263  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        4.781  -0.116  -0.790  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1        5.472   0.443  -1.632  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1        5.373  -1.196   0.048  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1        5.131  -1.268   1.538  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        4.559  -2.324   0.636  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 5