REMARK  Name = BDB063796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140   1.152  -0.771  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.745   0.178  -1.565  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.317  -0.951  -0.974  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -1.284  -1.102   0.412  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -0.679  -0.128   1.206  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.106   1.001   0.615  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.476   2.290  -1.358  0.00  0.00    -0.216 N 
ATOM      8  H   LIG    1        0.537   3.142  -0.803  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        1.846   2.081  -2.328  0.00  0.00    +0.072 S 
ATOM     10  O   LIG    1        2.394   3.404  -2.539  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1        1.520   1.216  -3.442  0.00  0.00    -0.150 OA
BRANCH   9  15
ATOM     12  C   LIG    1        4.719  -0.167   0.429  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.941  -0.871  -0.494  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.065  -0.186  -1.342  0.00  0.00    +0.032 A 
ATOM     15  C   LIG    1        2.960   1.204  -1.254  0.00  0.00    +0.109 A 
ATOM     16  C   LIG    1        3.747   1.920  -0.349  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        4.619   1.227   0.492  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.761  -2.127   1.283  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.608  -0.713   1.313  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   9  15
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1       -1.899  -2.241   0.998  0.00  0.00    -0.216 N 
ATOM     21  H   LIG    1       -1.933  -3.103   0.455  0.00  0.00    +0.174 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.259  -2.042   1.980  0.00  0.00    +0.074 S 
ATOM     23  O   LIG    1       -2.920  -1.192   3.101  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -3.801  -3.368   2.183  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.379  -1.159   0.948  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -5.211  -1.862   0.096  0.00  0.00    +0.139 A 
ATOM     27  N   LIG    1       -6.095  -1.260  -0.735  0.00  0.00    -0.261 NA
ATOM     28  C   LIG    1       -6.161   0.091  -0.683  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -5.383   0.870   0.161  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -4.475   0.230   1.000  0.00  0.00    +0.032 A 
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 7