REMARK  Name = BDB047007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.090  -1.081  -0.645  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1       -0.344  -2.217   0.076  0.00  0.00    +0.020 C 
ATOM      3  C   LIG    1       -0.710  -1.113  -2.137  0.00  0.00    +0.020 C 
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.608  -1.353  -0.527  0.00  0.00    +0.238 C 
ATOM      5  N   LIG    1       -3.098  -1.447   0.785  0.00  0.00    -0.185 N 
ATOM      6  H   LIG    1       -2.502  -1.318   1.594  0.00  0.00    +0.177 HD
ATOM      7  O   LIG    1       -3.341  -1.450  -1.501  0.00  0.00    -0.274 OA
BRANCH   5   8
ATOM      8  S   LIG    1       -4.670  -1.785   1.202  0.00  0.00    +0.074 S 
ATOM      9  O   LIG    1       -4.689  -1.735   2.651  0.00  0.00    -0.150 OA
ATOM     10  O   LIG    1       -5.111  -2.969   0.500  0.00  0.00    -0.150 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -5.564  -0.373   0.610  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -6.193  -0.423  -0.637  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -6.915   0.682  -1.087  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -7.020   1.822  -0.288  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.405   1.861   0.965  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -5.679   0.761   1.421  0.00  0.00    +0.029 A 
ENDBRANCH   8  11
ENDBRANCH   5   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.811   0.311  -0.014  0.00  0.00    +0.019 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.482   1.049  -0.380  0.00  0.00    +0.042 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.771   0.384   0.092  0.00  0.00    +0.229 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.833   1.317  -0.102  0.00  0.00    -0.492 OA
BRANCH  20  24
ATOM     21  C   LIG    1        6.092  -1.972   1.723  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        5.744  -0.616   1.185  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        4.423  -0.317   0.815  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        4.093   0.935   0.282  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        5.099   1.901   0.104  0.00  0.00    -0.009 A 
ATOM     26  C   LIG    1        4.777   3.252  -0.470  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1        6.420   1.593   0.460  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        6.740   0.344   0.991  0.00  0.00    +0.004 A 
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8