REMARK  Name = BDB060508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174  -0.167   0.080  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1        0.469   0.266  -1.061  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.117   0.448  -1.877  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        0.376  -0.432   1.147  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1       -6.643  -1.959   3.289  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -5.883  -1.465   2.092  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -4.487  -1.322   2.150  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.773  -0.893   1.028  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.464  -0.620  -0.145  0.00  0.00    +0.139 A 
ATOM     10  O   LIG    1       -3.782  -0.187  -1.294  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1       -2.403  -0.017  -1.297  0.00  0.00    +0.350 A 
ATOM     12  C   LIG    1       -1.667  -0.309  -0.046  0.00  0.00    +0.122 A 
ATOM     13  O   LIG    1       -1.821   0.364  -2.311  0.00  0.00    -0.244 OA
ATOM     14  C   LIG    1       -5.845  -0.768  -0.232  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -2.330  -0.724   1.047  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -6.553  -1.197   0.890  0.00  0.00    +0.007 A 
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        1.847   0.495  -1.249  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        2.250   0.937  -2.514  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1        3.599   1.190  -2.786  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        4.578   1.016  -1.801  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        4.169   0.564  -0.543  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        2.818   0.307  -0.268  0.00  0.00    +0.025 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.923   1.280  -2.135  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        6.203   0.711  -2.926  0.00  0.00    +0.169 HD
BRANCH  23  25
ATOM     25  C   LIG    1        6.940   1.523  -1.269  0.00  0.00    +0.192 C 
ATOM     26  N   LIG    1        6.900   2.097  -0.119  0.00  0.00    -0.269 NA
ATOM     27  H   LIG    1        5.930   2.379   0.061  0.00  0.00    +0.190 HD
BRANCH  25  28
ATOM     28  N   LIG    1        8.147   1.144  -1.745  0.00  0.00    -0.370 N 
ATOM     29  H   LIG    1        8.359   1.547  -2.649  0.00  0.00    +0.159 HD
ATOM     30  H   LIG    1        8.855   1.443  -1.077  0.00  0.00    +0.159 HD
ENDBRANCH  25  28
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   2  17
TORSDOF 5