REMARK  Name = BDB026413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.762  -0.125   0.916  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1       -1.632   0.238   0.195  0.00  0.00    +0.306 C 
ATOM      3  O   LIG    1       -1.114   1.342   0.156  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1       -1.181  -0.898  -0.484  0.00  0.00    -0.276 N 
ATOM      5  C   LIG    1       -1.930  -2.093  -0.079  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -1.167  -2.928   0.957  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -2.330  -2.964  -1.272  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.183  -1.469   0.580  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -3.624   0.826   1.586  0.00  0.00    +0.144 C 
BRANCH   9  14
ATOM     10  C   LIG    1       -8.190   2.393  -1.678  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -7.013   1.968  -0.852  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -7.189   1.137   0.260  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -6.096   0.767   1.049  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -4.810   1.233   0.747  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -4.639   2.075  -0.361  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.731   2.444  -1.149  0.00  0.00    +0.003 A 
ENDBRANCH   9  14
ENDBRANCH   1   9
BRANCH   4  17
ATOM     17  C   LIG    1        0.084  -0.895  -1.212  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.323  -0.807  -0.300  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.792  -2.128   0.017  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        2.728  -1.995   0.276  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.472  -0.051  -1.004  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.737  -0.143  -0.234  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.871   0.238  -1.105  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.196   0.326  -0.376  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.241   0.506   1.017  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.478   0.616   1.666  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.664   0.576   0.933  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.622   0.418  -0.451  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.963   0.513   1.815  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.395   0.297  -1.103  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.721   0.747   0.943  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7