REMARK  Name = BDB032662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.882   0.097  -1.113  0.00  0.00    -0.192 N 
ATOM      2  H   LIG    1       -1.260  -0.704  -1.627  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        2.163  -0.765   1.009  0.00  0.00    +0.135 A 
ATOM      4  S   LIG    1        1.261   0.652   0.630  0.00  0.00    -0.029 S 
ATOM      5  C   LIG    1        0.249  -0.345  -0.315  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1        0.624  -1.601  -0.388  0.00  0.00    -0.124 NA
ATOM      7  N   LIG    1        1.742  -1.849   0.385  0.00  0.00    -0.140 NA
BRANCH   3  10
ATOM      8  C   LIG    1        5.781  -0.864   2.022  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        4.603  -0.919   1.271  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        3.346  -0.693   1.860  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        3.289  -0.433   3.237  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1        1.797  -0.205   4.080  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        4.466  -0.377   3.991  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        5.708  -0.587   3.386  0.00  0.00    +0.047 A 
BRANCH   8  16
ATOM     15  C   LIG    1        8.150  -1.077   2.028  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        6.923  -1.095   1.308  0.00  0.00    -0.495 OA
ENDBRANCH   8  16
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1       -2.083   0.824  -0.167  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -1.681   2.208  -0.018  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.346  -0.021   0.980  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.523   0.733  -1.198  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -4.414   1.806  -1.286  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -5.546   1.711  -2.105  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -5.775   0.563  -2.862  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.891  -0.509  -2.777  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.784  -0.436  -1.925  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.278   2.912  -0.494  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -3.931   4.067  -1.260  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -2.924  -1.504  -1.869  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.512  -2.596  -1.152  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7