REMARK  Name = BDB059333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.213  -0.068  -1.044  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.131   0.438  -0.347  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.148   0.560   0.664  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.113  -0.466  -2.202  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -6.192   0.127  -1.316  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -4.946   0.023  -0.487  0.00  0.00    -0.050 A 
ATOM      7  C   LIG    1       -3.686   0.031  -1.100  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -2.518  -0.092  -0.334  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -2.613  -0.264   1.053  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.868  -0.288   1.665  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.026  -0.146   0.899  0.00  0.00    +0.003 A 
ENDBRANCH   1   8
BRANCH   2  12
ATOM     12  N   LIG    1        1.252   0.109  -0.931  0.00  0.00    -0.108 NA
ATOM     13  H   LIG    1        1.139  -0.329  -1.860  0.00  0.00    +0.172 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.170  -0.946   0.057  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.189  -2.235  -0.597  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        1.689  -0.784   1.416  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.779  -0.216  -0.061  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1        4.098   0.876   0.751  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        5.372   1.440   0.675  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        6.319   0.907  -0.201  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.000  -0.192  -1.001  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.728  -0.761  -0.931  0.00  0.00    +0.028 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   2  12
TORSDOF 4