REMARK  Name = BDB061443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.430   0.096   3.934  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.121   0.310   3.268  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.742  -0.314   2.096  0.00  0.00    -0.312 N 
ATOM      4  C   LIG    1       -0.473   0.104   1.795  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -0.142   0.993   2.803  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        1.116   1.595   2.747  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.933   1.261   1.659  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.485   0.356   0.684  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.277  -0.261   0.741  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -1.166   1.113   3.705  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.294   0.005  -0.502  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.154   0.919  -1.123  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        3.878   0.534  -2.247  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.791  -0.695  -2.774  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        2.959  -1.572  -2.196  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.207  -1.270  -1.073  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        4.740   1.446  -2.868  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.221   2.267  -3.161  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.460   1.737  -2.214  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        2.905  -2.845  -2.763  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        1.952  -3.109  -2.983  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        3.494  -2.815  -3.592  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.513  -1.265   1.317  0.00  0.00    +0.132 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.438  -0.605   0.295  0.00  0.00    +0.096 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.714  -0.147  -0.918  0.00  0.00    +0.107 A 
ATOM     26  O   LIG    1       -2.478  -1.092  -1.871  0.00  0.00    -0.468 OA
ATOM     27  C   LIG    1       -1.793  -0.480  -2.872  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1       -1.595   0.848  -2.578  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -2.197   1.067  -1.315  0.00  0.00    +0.045 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6