REMARK  Name = BDB032665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.957  -0.395   0.472  0.00  0.00    -0.192 N 
ATOM      2  H   LIG    1       -1.488  -1.162   0.051  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.450  -0.564   0.147  0.00  0.00    +0.201 A 
ATOM      4  S   LIG    1        1.734   0.393   0.734  0.00  0.00    -0.029 S 
ATOM      5  C   LIG    1        2.792  -0.636  -0.150  0.00  0.00    +0.139 A 
ATOM      6  N   LIG    1        2.182  -1.617  -0.785  0.00  0.00    -0.139 NA
ATOM      7  N   LIG    1        0.813  -1.583  -0.596  0.00  0.00    -0.124 NA
BRANCH   5   8
ATOM      8  C   LIG    1        4.224  -0.381  -0.157  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.123  -1.210   0.516  0.00  0.00    +0.224 A 
ATOM     10  N   LIG    1        6.464  -1.010   0.528  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        6.934   0.049  -0.165  0.00  0.00    +0.114 A 
ATOM     12  C   LIG    1        6.128   0.926  -0.870  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        4.753   0.706  -0.865  0.00  0.00    +0.017 A 
BRANCH   9  14
ATOM     14  O   LIG    1        4.603  -2.267   1.239  0.00  0.00    -0.479 OA
ATOM     15  C   LIG    1        5.598  -3.109   1.810  0.00  0.00    +0.279 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -1.546   1.104  -0.052  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1       -1.094   1.334  -1.409  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.248   2.037   1.016  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -4.192   1.833   0.281  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.298   0.846  -0.143  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.800  -0.356  -0.661  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -5.177  -0.592  -0.700  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -6.064   0.394  -0.274  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -5.573   1.610   0.198  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.970   3.296   2.058  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.756   3.071   0.663  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -2.949  -1.349  -1.076  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.975  -1.484  -2.502  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 7