REMARK  Name = BDB035982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.596  -0.051   1.737  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.734   0.002   1.290  0.00  0.00    +0.107 A 
ATOM      3  C   LIG    1        1.184   1.275   1.471  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.480   1.647   1.119  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.336   0.636   0.547  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        2.833  -0.688   0.359  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        3.288  -1.931  -0.154  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        2.233  -2.822  -0.030  0.00  0.00    +0.103 A 
ATOM      9  O   LIG    1        1.149  -2.200   0.532  0.00  0.00    -0.459 OA
ATOM     10  C   LIG    1        2.061  -4.247  -0.378  0.00  0.00    +0.086 C 
ATOM     11  O   LIG    1        0.167   1.998   2.012  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.535  -0.955   0.746  0.00  0.00    +0.150 A 
ATOM     13  N   LIG    1       -0.952   1.169   2.175  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.412  -1.170   1.719  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.078  -1.995   1.223  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.073  -1.122   1.899  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -3.558  -2.428   1.488  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.340  -0.634   3.236  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.162  -0.093  -0.644  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.626   0.032   0.675  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.524   1.057   0.987  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.936   1.955  -0.005  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.432   1.857  -1.301  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.541   0.835  -1.619  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -2.909  -2.060  -1.827  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -2.280  -1.085  -0.991  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -5.119   1.149   2.215  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -4.593   2.247   2.963  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        4.748   1.017   0.158  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        4.896   1.109  -1.288  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        5.544   0.137  -1.966  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        5.507   0.557  -3.232  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        4.855   1.795  -3.369  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        4.477   2.134  -2.091  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7