REMARK  Name = BDB029674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.115  -2.454   0.939  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1        0.256  -1.908  -0.387  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        1.679  -1.418  -0.603  0.00  0.00    +0.092 C 
ATOM      4  N   LIG    1        2.660  -1.353   0.509  0.00  0.00    -0.323 N 
ATOM      5  C   LIG    1        2.200  -1.874   1.812  0.00  0.00    +0.121 C 
ATOM      6  C   LIG    1        0.532  -0.455  -0.657  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        1.079  -2.925   1.662  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.695  -0.396   0.493  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        4.494  -0.094   1.603  0.00  0.00    +0.134 A 
ATOM     10  N   LIG    1        5.503   0.814   1.637  0.00  0.00    -0.249 NA
ATOM     11  C   LIG    1        5.761   1.478   0.489  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        5.048   1.264  -0.682  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.017   0.320  -0.670  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  C   LIG    1        6.875   2.482   0.533  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1        7.682   2.535  -0.595  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.657   1.752  -1.235  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.862   3.364  -0.598  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1        7.054   3.191   1.517  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.983  -1.604   1.757  0.00  0.00    +0.121 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -6.582   0.413  -0.900  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -5.766   1.622  -0.548  0.00  0.00    +0.252 A 
ATOM     22  O   LIG    1       -6.171   2.761  -0.758  0.00  0.00    -0.268 OA
ATOM     23  N   LIG    1       -4.539   1.403   0.023  0.00  0.00    -0.321 N 
ATOM     24  H   LIG    1       -4.003   2.229   0.251  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -4.036   0.126   0.292  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -4.795  -1.000  -0.022  0.00  0.00    +0.088 A 
ATOM     27  N   LIG    1       -4.389  -2.266   0.205  0.00  0.00    -0.253 NA
ATOM     28  C   LIG    1       -3.165  -2.409   0.766  0.00  0.00    +0.116 A 
ATOM     29  C   LIG    1       -2.327  -1.348   1.118  0.00  0.00    -0.013 A 
ATOM     30  C   LIG    1       -2.786  -0.049   0.873  0.00  0.00    +0.034 A 
ATOM     31  C   LIG    1       -6.107  -0.817  -0.631  0.00  0.00    +0.038 A 
BRANCH  20  33
ATOM     32  C   LIG    1       -7.844   1.000  -2.993  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -7.934   0.649  -1.514  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 5