REMARK  Name = BDB053017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.877  -2.742   0.526  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.179  -1.750   0.332  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -2.727  -0.404   0.213  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.892   0.676  -0.006  0.00  0.00    +0.034 A 
ATOM      5  S   LIG    1       -2.751   2.142  -0.112  0.00  0.00    -0.096 S 
ATOM      6  C   LIG    1       -4.250   1.353   0.135  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.440   0.536  -0.129  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        0.069  -0.774  -0.010  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        1.440  -1.020  -0.112  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        2.333   0.040  -0.325  0.00  0.00    -0.020 A 
ATOM     11  C   LIG    1        1.821   1.340  -0.454  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        0.448   1.590  -0.353  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.097  -0.006   0.294  0.00  0.00    +0.021 A 
ATOM     14  N   LIG    1       -0.806  -1.859   0.212  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -0.440  -2.796   0.300  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        3.808  -0.231  -0.474  0.00  0.00    +0.191 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.568   0.812   0.118  0.00  0.00    -0.390 OA
ATOM     18  H   LIG    1        5.504   0.572   0.012  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 2