REMARK  Name = BDB059724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.858  -2.247  -0.208  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.958  -1.418  -0.135  0.00  0.00    +0.253 A 
ATOM      3  N   LIG    1       -0.639  -1.769  -0.210  0.00  0.00    -0.321 N 
ATOM      4  H   LIG    1       -0.452  -2.757  -0.319  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        0.411  -0.848  -0.099  0.00  0.00    +0.071 A 
ATOM      6  C   LIG    1        0.136   0.514   0.078  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.212   1.389   0.248  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        2.501   0.875   0.198  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        2.787  -0.429  -0.002  0.00  0.00    -0.261 NA
ATOM     10  C   LIG    1       -1.278   0.929   0.103  0.00  0.00    +0.131 A 
ATOM     11  C   LIG    1        1.734  -1.266  -0.139  0.00  0.00    +0.137 A 
ATOM     12  C   LIG    1       -2.257   0.021   0.022  0.00  0.00    +0.116 A 
ENDROOT
BRANCH  10  13
ATOM     13  O   LIG    1       -1.590   2.270   0.187  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1       -0.891   2.782  -0.251  0.00  0.00    +0.292 HD
ENDBRANCH  10  13
TORSDOF 1