REMARK  Name = BDB011171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.071  -0.894  -0.031  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.587   0.130   0.735  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        0.239   1.101   1.282  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -0.280   2.006   2.185  0.00  0.00    +0.127 A 
ATOM      5  N   LIG    1       -1.569   2.026   2.555  0.00  0.00    -0.250 NA
ATOM      6  C   LIG    1       -2.433   1.174   1.978  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -3.796   1.269   2.334  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1       -4.761   0.469   1.723  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -4.382  -0.415   0.731  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.036  -0.525   0.381  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.655   1.193   0.936  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1        2.338   1.983   1.588  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1        2.119   0.356  -0.075  0.00  0.00    -0.228 N 
ATOM     14  C   LIG    1       -2.003   0.216   1.016  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        1.415  -0.790  -0.452  0.00  0.00    +0.337 A 
ATOM     16  O   LIG    1        1.900  -1.701  -1.131  0.00  0.00    -0.246 OA
ENDROOT
BRANCH  13  17
ATOM     17  C   LIG    1        3.461   0.597  -0.578  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1        3.922   1.919  -0.747  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        5.201   2.204  -1.255  0.00  0.00    -0.048 A 
ATOM     20  C   LIG    1        5.662   3.626  -1.385  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        6.053   1.150  -1.581  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        5.624  -0.164  -1.424  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.342  -0.436  -0.931  0.00  0.00    +0.026 A 
ENDBRANCH  13  17
BRANCH   7  24
ATOM     24  O   LIG    1       -4.096   2.204   3.304  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -5.449   2.339   3.712  0.00  0.00    +0.277 C 
ENDBRANCH   7  24
BRANCH   1  26
ATOM     26  C   LIG    1       -0.526  -2.221  -0.223  0.00  0.00    +0.127 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -0.951  -2.494  -1.675  0.00  0.00    +0.021 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -2.183  -4.067  -3.212  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -1.763  -3.786  -1.778  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 5