REMARK  Name = BDB058915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.251  -0.059  -1.737  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.200  -0.630  -0.650  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.340  -0.948   0.070  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.279  -0.994   1.089  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.101  -0.978  -0.021  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.240  -0.261  -0.413  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.498  -0.543   0.145  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -3.591  -1.573   1.093  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.463  -2.300   1.479  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.218  -2.006   0.922  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.689   0.213  -0.272  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.332   1.154   0.555  0.00  0.00    +0.049 A 
ATOM     13 CL   LIG    1       -4.754   1.522   2.146  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -6.465   1.844   0.109  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.974   1.610  -1.167  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.350   0.687  -2.001  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.219  -0.003  -1.558  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.638  -0.279  -0.442  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.446   0.197  -1.340  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.278   0.877   0.649  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.039   2.183   0.076  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.801   0.521   1.972  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.009   0.516   0.556  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.534  -0.528   1.324  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.901  -0.800   1.269  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.735  -0.027   0.458  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.207   1.022  -0.297  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.841   1.300  -0.248  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5