REMARK  Name = BDB060978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.299  -1.705   0.441  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -2.796  -0.766  -0.505  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.987   0.321  -0.059  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.456   1.208  -1.043  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.754   1.060  -2.406  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.568   0.022  -2.825  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.776   0.447   1.338  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.327  -0.442   2.258  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.074  -0.877  -1.888  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -3.096  -1.502   1.809  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -4.192  -2.747   0.093  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -4.051  -3.100  -0.847  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -5.155  -2.435   0.205  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1       -0.345   2.544  -0.617  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1       -0.942   3.307   0.456  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.082   3.185  -1.843  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        0.988   1.754   0.005  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        0.992   1.606   1.011  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.710   0.806  -0.833  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.933   0.290  -0.117  0.00  0.00    -0.032 A 
ATOM     21  C   LIG    1        4.095   1.073  -0.052  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        5.221   0.612   0.632  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.193  -0.630   1.264  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.040  -1.411   1.216  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        2.912  -0.952   0.533  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5