REMARK  Name = BDB058908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.583  -1.691  -1.430  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.024  -0.945  -1.801  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        1.977   0.199  -0.687  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1        1.974  -1.133  -1.072  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1        2.552  -1.788  -0.546  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1        1.003   0.930  -0.853  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1        5.588   0.614   0.438  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.458   0.099  -0.212  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        3.207   0.699  -0.017  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        3.099   1.823   0.812  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.224   2.333   1.460  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.467   1.727   1.276  0.00  0.00    +0.019 A 
BRANCH   7  14
ATOM     13  N   LIG    1        7.903  -0.498   0.071  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1        6.870   0.003   0.238  0.00  0.00    +0.099 C 
ENDBRANCH   7  14
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1       -0.190  -2.528  -0.141  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.516  -2.199   1.081  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -0.361  -3.902  -0.559  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -1.778  -1.743  -0.100  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -1.892  -0.466   0.457  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.140   0.172   0.501  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.280  -0.493  -0.011  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -5.527   0.150   0.036  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -5.649   1.430   0.580  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.528   2.084   1.081  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.143  -1.781  -0.555  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -3.280   1.459   1.043  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.897  -2.409  -0.600  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5