REMARK  Name = BDB060991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.571   1.546   0.035  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -3.074   0.312   0.545  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -1.887  -0.252  -0.007  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -1.398  -1.469   0.555  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.069  -2.120   1.600  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.234  -1.577   2.114  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.279   0.432  -1.090  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.810   1.605  -1.621  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.724  -0.381   1.595  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.960   2.146  -1.071  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -4.800   2.113   0.451  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1       -5.556   1.785  -0.147  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1       -5.019   1.919   1.422  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        0.099  -2.241  -0.026  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.433  -3.343   0.851  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.002  -2.421  -1.457  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1        1.263  -1.059   0.310  0.00  0.00    -0.186 NA
ATOM     18  H   LIG    1        1.518  -1.143   1.298  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.476  -1.171  -0.525  0.00  0.00    +0.141 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.499  -0.139  -0.124  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        3.172   1.222  -0.116  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        4.143   2.138   0.253  0.00  0.00    +0.111 A 
ATOM     23  N   LIG    1        5.401   1.797   0.604  0.00  0.00    -0.263 NA
ATOM     24  C   LIG    1        5.701   0.481   0.584  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1        4.798  -0.511   0.232  0.00  0.00    +0.024 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5