REMARK  Name = BDB031677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111  -1.097  -1.394  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.697  -0.354  -2.264  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.920   0.187  -1.867  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.467   0.870  -2.988  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.581   0.736  -4.032  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        2.358  -0.018  -0.543  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.578  -0.766   0.357  0.00  0.00    -0.015 A 
ATOM      8  N   LIG    1        0.524  -0.013  -3.589  0.00  0.00    -0.359 N 
ATOM      9  H   LIG    1       -0.306  -0.243  -4.126  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        0.358  -1.299  -0.088  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        2.029  -0.980   1.742  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        2.317   0.108   2.583  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        2.739  -0.094   3.899  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.881  -1.387   4.396  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.602  -2.478   3.578  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.179  -2.276   2.261  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.370  -1.654  -1.760  0.00  0.00    -0.214 N 
ATOM     18  H   LIG    1       -1.729  -2.420  -1.191  0.00  0.00    +0.174 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.609  -0.666  -2.331  0.00  0.00    +0.072 S 
ATOM     20  O   LIG    1       -3.829  -1.434  -2.200  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.215  -0.105  -3.607  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -3.427   1.464   1.014  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1       -3.366   0.435   0.070  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -2.677   0.644  -1.131  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -2.077   1.876  -1.407  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -2.140   2.899  -0.461  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -2.810   2.693   0.748  0.00  0.00    +0.019 A 
BRANCH  22  29
ATOM     28  N   LIG    1       -4.672   1.092   3.260  0.00  0.00    -0.191 NA
ATOM     29  C   LIG    1       -4.117   1.261   2.255  0.00  0.00    +0.099 C 
ENDBRANCH  22  29
ENDBRANCH  19  24
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 5