REMARK  Name = BDB052992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.111  -0.377   0.149  0.00  0.00    -0.195 N 
ATOM      2  C   LIG    1       -1.796  -1.582  -0.047  0.00  0.00    +0.280 A 
ATOM      3  O   LIG    1       -3.014  -1.744  -0.089  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -0.963  -2.789  -0.212  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.419  -2.703  -0.119  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.198  -3.849  -0.351  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        0.588  -5.074  -0.631  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.799  -5.164  -0.693  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.011  -1.375   0.194  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -1.574  -4.023  -0.490  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.258  -0.317   0.288  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -5.157   2.565  -0.278  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.717   2.379   0.104  0.00  0.00    -0.048 A 
ATOM     14  C   LIG    1       -3.108   1.117  -0.036  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.757   0.906   0.281  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1       -1.026   2.023   0.730  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -1.614   3.284   0.860  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -2.956   3.463   0.544  0.00  0.00    +0.003 A 
ENDBRANCH   1  15
BRANCH   9  19
ATOM     19  N   LIG    1        2.387  -1.291   0.405  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        2.823  -2.154   0.703  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.163  -0.175   0.381  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        4.461  -0.195   0.820  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1        4.976  -0.974   1.211  0.00  0.00    +0.190 HD
ATOM     24  N   LIG    1        5.096   0.983   0.710  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        4.171   1.795   0.185  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        4.491   3.215  -0.093  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        2.951   1.117  -0.042  0.00  0.00    +0.068 A 
ENDBRANCH  19  21
ENDBRANCH   9  19
TORSDOF 3