REMARK  Name = BDB051981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.811  -0.077  -0.798  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1       -1.529   1.474  -0.629  0.00  0.00    -0.068 S 
ATOM      3  C   LIG    1       -3.076   0.742  -0.422  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.944  -0.637  -0.534  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -1.646  -1.092  -0.737  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.233   1.593  -0.131  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -4.626   2.606  -1.017  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -5.738   3.404  -0.735  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.468   3.196   0.434  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -6.088   2.192   1.322  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.976   1.394   1.042  0.00  0.00    +0.009 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1       -4.033  -1.604  -0.431  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.837  -2.775   0.314  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -4.857  -3.722   0.431  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.080  -3.511  -0.203  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.280  -2.358  -0.961  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.260  -1.411  -1.079  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  C   LIG    1        0.665  -0.207  -1.030  0.00  0.00    +0.291 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.322   0.164   0.183  0.00  0.00    -0.485 OA
BRANCH  19  25
ATOM     20  C   LIG    1        5.770  -0.698  -1.882  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        4.910  -0.251  -0.730  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        5.489   0.181   0.477  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        4.663   0.585   1.527  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        3.273   0.560   1.378  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        2.688   0.136   0.186  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        3.509  -0.271  -0.865  0.00  0.00    +0.052 A 
BRANCH  22  27
ATOM     27  O   LIG    1        6.859   0.165   0.517  0.00  0.00    -0.481 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.480   0.599   1.731  0.00  0.00    +0.349 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.987   0.504   1.560  0.00  0.00    +0.343 C 
ATOM     30  O   LIG    1        9.794   0.812   2.425  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1        9.363   0.040   0.343  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        8.560  -0.145  -0.194  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9