REMARK  Name = BDB062828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.203   0.513  -0.233  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1       -0.788   1.536   0.573  0.00  0.00    +0.166 A 
ATOM      3  C   LIG    1        0.592   1.558   0.485  0.00  0.00    +0.086 A 
ATOM      4  C   LIG    1        1.235   2.563   1.214  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1        0.485   3.406   1.955  0.00  0.00    -0.199 NA
ATOM      6  C   LIG    1       -0.849   3.275   1.960  0.00  0.00    +0.216 A 
ATOM      7  C   LIG    1        0.920   0.476  -0.385  0.00  0.00    +0.105 A 
ATOM      8  N   LIG    1       -1.560   2.358   1.300  0.00  0.00    -0.195 NA
ATOM      9  N   LIG    1       -0.188  -0.137  -0.842  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.237   0.002  -0.809  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.253  -0.215   0.140  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        4.498  -0.673  -0.311  0.00  0.00    +0.112 A 
ATOM     13  C   LIG    1        4.681  -0.908  -1.664  0.00  0.00    +0.157 A 
ATOM     14  O   LIG    1        5.962  -1.345  -1.839  0.00  0.00    -0.425 OA
ATOM     15  C   LIG    1        6.479  -1.338  -0.579  0.00  0.00    +0.286 A 
ATOM     16  C   LIG    1        3.710  -0.725  -2.638  0.00  0.00    +0.049 A 
ATOM     17  N   LIG    1        5.655  -0.959   0.368  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        2.471  -0.263  -2.174  0.00  0.00    +0.014 A 
BRANCH  15  19
ATOM     19  N   LIG    1        7.747  -1.739  -0.461  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        8.097  -2.330  -1.204  0.00  0.00    +0.147 HD
ATOM     21  H   LIG    1        8.014  -2.047   0.467  0.00  0.00    +0.147 HD
ENDBRANCH  15  19
ENDBRANCH   7  10
BRANCH   6  22
ATOM     22  N   LIG    1       -1.553   4.157   2.758  0.00  0.00    -0.327 N 
ATOM     23  H   LIG    1       -2.428   3.741   3.042  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -0.946   4.503   3.489  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
BRANCH   4  25
ATOM     25  N   LIG    1        2.605   2.785   1.225  0.00  0.00    -0.342 N 
ATOM     26  H   LIG    1        3.093   2.548   0.371  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1        2.813   3.702   1.605  0.00  0.00    +0.144 HD
ENDBRANCH   4  25
BRANCH   1  28
ATOM     28  C   LIG    1       -2.589   0.098  -0.466  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -2.929   0.161  -1.957  0.00  0.00    +0.033 C 
BRANCH  28  30
ATOM     30  C   LIG    1       -2.841  -1.290   0.157  0.00  0.00    +0.029 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -5.285  -0.879   0.770  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -4.290  -1.808   0.073  0.00  0.00    -0.015 C 
ATOM     33  C   LIG    1       -4.374  -3.208   0.689  0.00  0.00    +0.007 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 7