REMARK  Name = BDB029467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.486  -0.121   0.599  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -1.484   0.519  -0.255  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.812   0.177   0.441  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -3.863   1.198   0.043  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -4.216   2.130   0.759  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.427   1.021  -1.195  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -5.134   1.711  -1.418  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -4.697  -0.206  -1.742  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.634  -0.358  -2.520  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.778  -1.337  -1.350  0.00  0.00    +0.097 C 
ATOM     11  C   LIG    1       -3.344  -1.227   0.106  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -2.405   0.279   1.920  0.00  0.00    +0.036 C 
ATOM     13  C   LIG    1       -0.974  -0.264   1.966  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.522   0.413  -0.388  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1        2.471   0.874  -1.162  0.00  0.00    +0.127 A 
ATOM     16  N   LIG    1        1.162   0.706  -0.844  0.00  0.00    -0.240 NA
ATOM     17  C   LIG    1        0.846   0.059   0.301  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        1.855  -0.445   1.122  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        3.200  -0.266   0.783  0.00  0.00    +0.020 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.904   0.661  -0.848  0.00  0.00    +0.340 C 
ATOM     21  O   LIG    1        5.175   1.253  -1.880  0.00  0.00    -0.245 OA
BRANCH  20  23
ATOM     22  C   LIG    1        7.162   0.344  -0.343  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        5.798   0.144   0.032  0.00  0.00    -0.464 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH   1  17
TORSDOF 3