REMARK  Name = BDB055037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.767   1.023   1.299  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1       -2.845   2.083   2.129  0.00  0.00    +0.085 S 
ATOM      3  O   LIG    1       -3.499   1.297   3.158  0.00  0.00    -0.151 OA
ATOM      4  O   LIG    1       -2.086   3.266   2.488  0.00  0.00    -0.151 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -4.141   2.606   1.013  0.00  0.00    +0.233 A 
ATOM      6  S   LIG    1       -4.104   4.206   0.407  0.00  0.00    -0.056 S 
ATOM      7  C   LIG    1       -5.526   3.880  -0.495  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -5.923   2.577  -0.283  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -5.126   1.840   0.570  0.00  0.00    -0.229 NA
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1       -2.426  -0.147   0.638  0.00  0.00    +0.113 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -1.247   0.084  -1.609  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -2.587   0.091  -0.874  0.00  0.00    -0.001 C 
ATOM     13  C   LIG    1       -3.507  -0.977  -1.470  0.00  0.00    +0.008 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1       -0.644   0.613   2.194  0.00  0.00    +0.144 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.629   0.317   1.435  0.00  0.00    -0.031 A 
ATOM     16  C   LIG    1        1.111  -0.996   1.315  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        2.285  -1.263   0.599  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        2.781  -2.623   0.473  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        3.899  -2.817  -0.232  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1        4.667  -1.698  -0.899  0.00  0.00    +0.123 C 
ATOM     21  O   LIG    1        4.134  -0.370  -0.715  0.00  0.00    -0.482 OA
ATOM     22  C   LIG    1        6.096  -1.667  -0.345  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1        4.705  -1.943  -2.412  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1        2.983  -0.212   0.002  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1        2.514   1.096   0.121  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        1.343   1.361   0.832  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6