REMARK  Name = BDB052974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.424   0.203  -0.535  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.571  -1.203  -0.082  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -0.299  -1.660   0.901  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.205  -2.975   1.377  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.748  -3.843   0.845  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.593  -3.404  -0.172  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.362  -0.771   1.398  0.00  0.00    +0.275 A 
ATOM      8  O   LIG    1       -2.115  -1.165   2.285  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -1.459   0.476   0.792  0.00  0.00    -0.223 N 
ATOM     10  C   LIG    1        1.498  -2.091  -0.643  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.574   0.952  -0.145  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.304   0.790  -1.428  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        0.843   1.599  -1.842  0.00  0.00    +0.155 HD
BRANCH  12  19
ATOM     14  C   LIG    1        6.142   0.817  -0.155  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        4.818   0.967  -0.805  0.00  0.00    +0.062 A 
ATOM     16  N   LIG    1        4.711   1.597  -1.981  0.00  0.00    -0.178 NA
ATOM     17  N   LIG    1        3.396   1.557  -2.249  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        3.071   1.976  -3.112  0.00  0.00    +0.190 HD
ATOM     19  C   LIG    1        2.654   0.909  -1.297  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.560   0.520  -0.337  0.00  0.00    +0.068 A 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1       -2.545   1.372   1.174  0.00  0.00    +0.184 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.746   1.215   0.282  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -4.743   0.291   0.579  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1       -5.845   0.094  -0.181  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -5.952   0.841  -1.300  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -5.010   1.775  -1.696  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.889   1.960  -0.892  0.00  0.00    +0.008 A 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4