REMARK  Name = BDB006076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.826   0.029   2.995  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.883   0.030   2.212  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.882   0.897   1.026  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.784   0.848   0.187  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.689   1.632  -0.972  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.570   1.593  -1.842  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.609   0.771  -1.516  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -0.647  -0.016  -0.387  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        0.136  -0.653  -0.251  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.753   2.486  -1.267  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.874   2.549  -0.427  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.673  -0.057   0.511  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -1.679  -0.824   1.561  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -4.941   1.754   0.722  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -2.771  -0.767   2.383  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -2.754  -1.375   3.196  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.640   0.694  -2.392  0.00  0.00    +0.155 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.150  -0.684  -2.334  0.00  0.00    -0.309 NA
ATOM     19  H   LIG    1        0.578  -1.262  -2.952  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.555  -0.791  -2.737  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.563  -0.234  -1.712  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.383  -0.789  -0.317  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        2.856   0.016   0.704  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.650  -0.506   1.981  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.977  -1.832   2.254  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.511  -2.638   1.251  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.713  -2.120  -0.029  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 5