REMARK  Name = BDB037132
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.647  -1.160  -1.506  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.019  -1.046  -2.293  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.424  -0.554  -0.264  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -1.283  -0.452   0.597  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.934   0.018  -0.063  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.049  -0.419  -0.785  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.297   0.172  -0.562  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.452   1.225   0.350  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.329   1.648   1.078  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.083   1.047   0.877  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.376  -0.229  -1.304  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        4.810  -1.537  -0.922  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.797   1.871   0.584  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.486   1.280   1.724  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.363   0.267   1.546  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.810   0.013   2.778  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.242   0.865   3.742  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.397   1.683   3.030  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.060  -1.943  -1.933  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.203  -3.064  -1.034  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.953  -2.138  -3.365  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -5.247   1.298  -1.327  0.00  0.00    +0.138 A 
ATOM     23  C   LIG    1       -4.075   1.546  -2.058  0.00  0.00    +0.062 A 
ATOM     24 BR   LIG    1       -3.726   3.245  -2.836  0.00  0.00    -0.046 Br
ATOM     25  C   LIG    1       -3.120   0.543  -2.245  0.00  0.00    +0.051 A 
ATOM     26  C   LIG    1       -3.318  -0.724  -1.679  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1       -4.473  -0.981  -0.946  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.441   0.023  -0.786  0.00  0.00    +0.094 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -7.334   2.099  -0.484  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.131   2.336  -1.204  0.00  0.00    -0.494 OA
ENDBRANCH  22  30
BRANCH  27  31
ATOM     31  O   LIG    1       -4.760  -2.224  -0.458  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.527  -2.286   0.952  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8