REMARK  Name = BDB028615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.565  -0.514   2.143  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -0.296  -1.492   2.050  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.064   0.411   1.322  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.183   0.103   0.505  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.468   1.298  -0.125  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.506   1.486  -1.034  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.298   0.362  -1.317  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.022  -0.875  -0.694  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.581   2.244   0.280  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        1.973  -1.029   0.231  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.306   1.688   1.185  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        1.648  -2.196   0.870  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.611  -3.244   0.816  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        4.444   0.474  -2.299  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.732   0.281  -1.645  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        6.336  -0.926  -1.681  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        7.474  -0.729  -1.010  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.605   0.594  -0.552  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.463   1.228  -0.983  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -2.041  -0.272   2.885  0.00  0.00    +0.081 S 
ATOM     21  O   LIG    1       -1.876   0.833   3.807  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.461  -1.572   3.373  0.00  0.00    -0.150 OA
BRANCH  20  26
ATOM     23  C   LIG    1       -4.829   0.814  -0.593  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -3.993  -0.297  -0.674  0.00  0.00    +0.093 A 
ATOM     25  C   LIG    1       -3.178  -0.642   0.413  0.00  0.00    +0.154 A 
ATOM     26  C   LIG    1       -3.143   0.155   1.565  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -3.986   1.264   1.646  0.00  0.00    +0.154 A 
ATOM     28  C   LIG    1       -4.834   1.577   0.576  0.00  0.00    +0.093 A 
BRANCH  23  30
ATOM     29  C   LIG    1       -5.714   0.512  -2.781  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.686   1.250  -1.565  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
BRANCH  25  31
ATOM     31  O   LIG    1       -2.371  -1.747   0.293  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.138  -2.950   0.399  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
BRANCH  27  33
ATOM     33  O   LIG    1       -4.104   1.999   2.793  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -3.515   3.293   2.643  0.00  0.00    +0.277 C 
ENDBRANCH  27  33
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 9