REMARK  Name = BDB052401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.572   0.269  -2.717  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.519   0.227  -1.627  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        2.261   0.061  -0.300  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.004  -0.124   0.397  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        1.069  -0.541   1.717  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.381  -0.894   2.375  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        3.606  -0.133   1.804  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.151  -0.689   2.322  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -1.317  -0.426   1.701  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -1.274  -0.016   0.421  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -0.130   0.150  -0.264  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        3.493   0.051   0.327  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.454   0.239  -0.705  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        3.836   0.338  -1.898  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        5.919   0.334  -0.597  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.713  -0.006  -1.469  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.393   0.885   0.569  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        5.792   1.503   1.095  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.377   1.117   0.538  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -2.430   0.304  -0.281  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1       -2.198   0.486  -1.248  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.785  -0.037  -0.109  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -4.729   0.537  -0.997  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -6.070   0.141  -0.944  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -6.513  -0.707   0.070  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.611  -1.186   1.015  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.257  -0.853   0.925  0.00  0.00    +0.025 A 
BRANCH  23  28
ATOM     28  N   LIG    1       -4.290   1.369  -2.058  0.00  0.00    -0.357 N 
ATOM     29  H   LIG    1       -5.049   1.917  -2.453  0.00  0.00    +0.142 HD
ATOM     30  H   LIG    1       -3.539   1.978  -1.739  0.00  0.00    +0.142 HD
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4