REMARK  Name = BDB037225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.259   1.672  -0.721  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.938   2.403  -0.096  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.640   0.408  -0.736  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.212  -0.604  -1.112  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.778   0.381  -0.240  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.213  -0.823   0.210  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.477  -0.899   0.674  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.343   0.188   0.740  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.872   1.417   0.262  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.575   1.521  -0.235  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.950  -2.115   1.124  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.024  -3.184   0.945  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.751   0.053   1.250  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.693  -0.098   0.151  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.284   0.992  -0.386  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.073   0.485  -1.336  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.999  -0.918  -1.405  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.101  -1.268  -0.425  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.843   1.933  -1.185  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.901   1.661  -2.604  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.177   3.249  -0.675  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.706  -0.094  -0.858  0.00  0.00    +0.152 A 
ATOM     23  C   LIG    1       -3.781   0.760  -0.250  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.596   0.695   1.140  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1       -4.286  -0.254   1.902  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1       -5.204  -1.098   1.283  0.00  0.00    +0.048 A 
ATOM     27 CL   LIG    1       -6.076  -2.245   2.223  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -5.431  -1.010  -0.087  0.00  0.00    +0.068 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -4.431  -1.066  -2.931  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.019   0.004  -2.185  0.00  0.00    -0.493 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -2.686   1.513   1.763  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -3.340   2.445   2.631  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8