REMARK  Name = BDB052407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500   2.203   0.455  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.671   1.412   0.164  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -1.730   0.097  -0.187  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.679  -0.889  -0.368  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.056  -2.123  -0.879  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.459  -2.392  -1.367  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.557  -1.562  -0.658  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.036  -3.031  -0.982  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.225  -2.768  -0.594  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.494  -1.536  -0.118  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.571  -0.569   0.004  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.076  -0.189  -0.335  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -3.766   1.024  -0.072  0.00  0.00    +0.173 A 
ATOM     14  N   LIG    1       -2.885   2.003   0.215  0.00  0.00    -0.164 NA
ENDROOT
BRANCH  10  15
ATOM     15  N   LIG    1        2.813  -1.359   0.289  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        3.307  -2.233   0.182  0.00  0.00    +0.155 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.589  -0.240   0.606  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.178   1.075   0.380  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        3.975   2.161   0.759  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.197   1.944   1.387  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.622   0.643   1.634  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.821  -0.437   1.251  0.00  0.00    +0.023 A 
ENDBRANCH  15  17
ENDBRANCH  10  15
BRANCH  13  23
ATOM     23  C   LIG    1       -5.217   1.234  -0.085  0.00  0.00    +0.357 C 
ATOM     24  O   LIG    1       -6.053   0.370  -0.325  0.00  0.00    -0.243 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.629   2.495   0.196  0.00  0.00    -0.476 OA
ATOM     26  H   LIG    1       -6.602   2.439   0.144  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  13  23
TORSDOF 4