REMARK  Name = BDB058916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.122  -1.254  -1.247  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.117  -0.998  -0.046  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.286  -0.916   0.693  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.309  -0.299   1.507  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.151  -0.709   0.678  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.268  -0.313  -0.075  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.496  -0.021   0.542  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.576  -0.146   1.939  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.473  -0.554   2.694  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.262  -0.840   2.066  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.662   0.403  -0.251  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -5.905  -0.238  -0.110  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -7.006   0.170  -0.865  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -8.517  -0.633  -0.672  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -6.895   1.220  -1.772  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.671   1.867  -1.927  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.566   1.461  -1.173  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.582  -0.865  -0.153  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.353  -1.069  -1.140  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.365   0.658  -0.093  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.150   1.300  -1.370  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.974   1.286   1.155  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.063   0.170   0.029  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.869   0.166  -1.114  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.210  -0.200  -1.004  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.741  -0.550   0.239  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.934  -0.533   1.378  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.592  -0.169   1.278  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5