REMARK  Name = BDB059354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494  -0.678   0.658  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.108  -1.831   1.115  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.956  -2.726   0.657  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.854   0.443   1.010  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.810  -0.113  -1.061  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.723   0.015  -0.193  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        0.634  -0.858  -0.286  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        0.613  -1.846  -1.276  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.697  -1.972  -2.146  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.794  -1.112  -2.035  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        3.812   0.794  -0.854  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.951   0.719  -1.712  0.00  0.00    +0.229 C 
BRANCH  12  14
ATOM     13  C   LIG    1        6.482   1.623   0.092  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        5.939   1.814  -1.317  0.00  0.00    +0.038 C 
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1       -2.504  -1.635   1.714  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1       -2.592  -0.693   2.123  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.788  -1.951   0.614  0.00  0.00    +0.074 S 
ATOM     18  O   LIG    1       -3.209  -2.125  -0.704  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1       -4.621  -2.977   1.204  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.673  -0.416   0.642  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -4.163   0.680  -0.059  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.858   1.888  -0.042  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.059   1.994   0.662  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.570   0.892   1.352  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.879  -0.320   1.342  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 7