REMARK  Name = BDB008986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.861  -0.094  -0.085  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1        0.451   0.532   1.103  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.890   1.823   1.411  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.750   2.493   0.546  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        2.177   1.873  -0.628  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.741   0.584  -0.939  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        0.478   2.427   2.637  0.00  0.00    -0.214 N 
ATOM      8  H   LIG    1       -0.366   2.034   3.053  0.00  0.00    +0.174 HD
BRANCH   7   9
ATOM      9  S   LIG    1        1.659   2.574   3.849  0.00  0.00    +0.106 S 
ATOM     10  O   LIG    1        2.798   3.317   3.354  0.00  0.00    -0.147 OA
ATOM     11  O   LIG    1        0.962   2.957   5.058  0.00  0.00    -0.147 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.280   0.925   4.195  0.00  0.00    +0.261 A 
ATOM     13  O   LIG    1        1.425  -0.159   4.274  0.00  0.00    -0.445 OA
ATOM     14  C   LIG    1        2.172  -1.259   4.539  0.00  0.00    +0.197 A 
ATOM     15  C   LIG    1        3.501  -0.931   4.631  0.00  0.00    +0.043 A 
ATOM     16  C   LIG    1        3.573   0.464   4.415  0.00  0.00    +0.071 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.398  -1.498  -0.399  0.00  0.00    +0.092 C 
BRANCH  17  26
ATOM     18  O   LIG    1       -1.385  -2.245  -5.563  0.00  0.00    -0.266 OA
ATOM     19  C   LIG    1       -1.032  -2.040  -4.406  0.00  0.00    +0.268 A 
ATOM     20  C   LIG    1       -1.861  -1.248  -3.463  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1       -3.144  -0.686  -4.013  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -3.786   0.358  -3.097  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -3.725  -0.081  -1.639  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -2.278  -0.308  -1.191  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -1.456  -1.067  -2.194  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -0.139  -1.673  -1.817  0.00  0.00    +0.069 A 
ATOM     27  N   LIG    1        0.601  -2.363  -2.635  0.00  0.00    -0.175 NA
ATOM     28  N   LIG    1        0.140  -2.534  -3.902  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        0.721  -3.080  -4.530  0.00  0.00    +0.192 HD
ENDBRANCH  17  26
ENDBRANCH   1  17
TORSDOF 5