REMARK  Name = BDB002806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.502   1.183   0.251  0.00  0.00    -0.329 N 
ATOM      2  C   LIG    1       -0.552   0.430   0.730  0.00  0.00    +0.111 A 
ATOM      3  C   LIG    1       -1.594   0.550  -0.167  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1       -1.164   1.403  -1.201  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        0.122   1.796  -0.930  0.00  0.00    +0.133 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.984  -0.128  -0.023  0.00  0.00    +0.146 A 
ATOM      7  N   LIG    1       -3.985   0.018  -0.947  0.00  0.00    -0.338 N 
ATOM      8  H   LIG    1       -3.902   0.567  -1.790  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -5.072  -0.698  -0.522  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -4.657  -1.258   0.682  0.00  0.00    +0.089 A 
ATOM     11  C   LIG    1       -5.548  -2.070   1.400  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.829  -2.290   0.877  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -7.215  -1.713  -0.336  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -6.342  -0.899  -1.067  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -3.366  -0.894   0.980  0.00  0.00    -0.228 NA
ENDBRANCH   3   6
BRANCH   2  16
ATOM     16  N   LIG    1       -0.487  -0.290   1.875  0.00  0.00    -0.344 N 
ATOM     17  H   LIG    1       -1.378  -0.724   2.147  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -0.023   0.101   2.689  0.00  0.00    +0.144 HD
ENDBRANCH   2  16
BRANCH   1  20
ATOM     19  C   LIG    1        2.050   2.736   1.353  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        1.835   1.301   0.856  0.00  0.00    +0.089 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.961   0.841  -0.105  0.00  0.00    +0.015 C 
ATOM     22  C   LIG    1        2.807  -0.621  -0.615  0.00  0.00    -0.006 C 
ATOM     23  C   LIG    1        3.540  -1.436   0.451  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        4.836  -0.643   0.301  0.00  0.00    -0.010 C 
ATOM     25  C   LIG    1        5.136  -0.794  -1.199  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.736  -0.810  -1.829  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        4.352   0.790   0.580  0.00  0.00    +0.009 C 
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   4  28
ATOM     28  O   LIG    1       -1.865   1.794  -2.279  0.00  0.00    -0.504 OA
ATOM     29  H   LIG    1       -1.314   2.381  -2.827  0.00  0.00    +0.292 HD
ENDBRANCH   4  28
TORSDOF 5