REMARK  Name = BDB052740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.089  -1.867   0.224  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.729  -3.063   0.378  0.00  0.00    +0.178 A 
ATOM      3  N   LIG    1       -2.079  -2.944   0.549  0.00  0.00    -0.302 N 
ATOM      4  C   LIG    1       -2.577  -4.212   0.673  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -1.479  -5.040   0.566  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1       -2.676  -1.704   0.572  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.890  -0.619   0.416  0.00  0.00    +0.090 A 
ATOM      8  N   LIG    1       -0.323  -4.318   0.381  0.00  0.00    -0.233 NA
ATOM      9  N   LIG    1       -0.512  -0.700   0.254  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.489   0.734   0.458  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.659   1.049  -0.254  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1       -4.197   2.341  -0.231  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -3.607   3.301   0.593  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -2.435   3.013   1.293  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -1.871   1.740   1.213  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  N   LIG    1       -5.428   2.602  -0.848  0.00  0.00    -0.358 N 
ATOM     17  H   LIG    1       -5.611   2.018  -1.658  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -5.582   3.586  -1.045  0.00  0.00    +0.142 HD
ENDBRANCH  12  16
ENDBRANCH   7  10
BRANCH   1  19
ATOM     19  N   LIG    1        1.451  -2.037   0.067  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        1.741  -3.010   0.080  0.00  0.00    +0.154 HD
BRANCH  19  24
ATOM     21  C   LIG    1        4.651   0.655  -0.634  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        4.872  -0.704  -0.422  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.800  -1.574  -0.198  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        2.474  -1.112  -0.185  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        2.271   0.255  -0.391  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        3.344   1.132  -0.617  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        5.598   2.790  -1.064  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        5.780   1.397  -0.842  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5