REMARK  Name = BDB031676
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021  -0.883   1.289  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.006  -1.827   0.255  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.946  -1.773  -0.776  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -0.677  -2.867  -1.648  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        0.406  -3.551  -1.142  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -1.901  -0.732  -0.766  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.900   0.236   0.257  0.00  0.00    -0.015 A 
ATOM      8  N   LIG    1        0.802  -2.917   0.006  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        1.577  -3.206   0.588  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -0.933   0.141   1.268  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.892   1.327   0.259  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -3.663   1.604   1.401  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.603   2.639   1.404  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.788   3.415   0.264  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.036   3.159  -0.878  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.096   2.124  -0.880  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  N   LIG    1        1.026  -0.924   2.290  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1        1.343  -1.820   2.651  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.195   0.288   2.357  0.00  0.00    +0.072 S 
ATOM     20  O   LIG    1        1.561   1.561   2.617  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        3.244  -0.223   3.213  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1        4.361  -0.550  -0.964  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        3.862  -0.568   0.342  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        2.838   0.316   0.697  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1        2.335   1.239  -0.225  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        2.838   1.254  -1.526  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        3.845   0.359  -1.896  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1        6.211  -2.231  -1.654  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1        5.392  -1.468  -1.350  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  30
ATOM     30  C   LIG    1       -1.381  -3.211  -2.844  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -1.950  -3.486  -3.818  0.00  0.00    -0.191 NA
ENDBRANCH   4  30
TORSDOF 6