REMARK  Name = BDB046983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.400   0.732   0.188  0.00  0.00    +0.084 A 
ATOM      2  C   LIG    1        0.678  -0.466  -0.140  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.699  -0.169  -0.115  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.677  -1.146  -0.405  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.145  -0.923  -0.427  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.724   0.153   0.191  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.737   0.115   0.154  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -3.102   1.103   1.083  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -2.025   1.916   0.389  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -3.883  -1.724  -1.000  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.225  -2.440  -0.731  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        0.125  -2.758  -0.756  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.795   1.165   0.219  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        1.077  -1.784  -0.462  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.446   1.710   0.398  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        2.835   0.978   0.302  0.00  0.00    +0.341 C 
ATOM     17  O   LIG    1        3.302   2.072   0.601  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        5.000   0.096   0.148  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        3.594  -0.126   0.044  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 2