REMARK  Name = BDB029586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.918   1.291  -0.564  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.392   0.390  -1.254  0.00  0.00    +0.275 A 
ATOM      3  N   LIG    1        0.738  -0.189  -2.341  0.00  0.00    -0.226 N 
ATOM      4  N   LIG    1        1.275  -1.185  -3.127  0.00  0.00    -0.176 NA
ATOM      5  C   LIG    1        2.450  -1.638  -2.830  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        3.253  -1.152  -1.716  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        4.511  -1.683  -1.446  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        5.247  -1.178  -0.369  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.739  -0.152   0.442  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.469   0.364   0.144  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        2.729  -0.139  -0.933  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.466   0.404   1.509  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.892   0.881   2.199  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.847   0.552   1.721  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        7.807   0.505   0.718  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1        9.138   0.599   0.945  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        9.585   0.742   2.215  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        8.692   0.788   3.223  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        7.327   0.694   3.021  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1       -0.592   0.294  -2.723  0.00  0.00    +0.180 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.691  -0.114  -1.719  0.00  0.00    +0.150 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.974  -1.510  -1.873  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.329  -1.815  -1.022  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.965   0.727  -1.982  0.00  0.00    +0.118 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.139   0.552  -1.112  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.849   0.706   0.318  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -5.074   0.549   1.197  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.229  -0.096   0.719  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.337  -0.256   1.562  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.290   0.197   2.880  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.141   0.819   3.363  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.298  -0.551  -0.718  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.037   0.992   2.528  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.910  -0.665  -1.367  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7