REMARK  Name = BDB037228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.753  -0.805  -1.701  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.662  -0.260  -0.841  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.318  -0.759  -2.604  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.315  -1.253  -3.720  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.503  -0.026  -2.061  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.350   0.539  -0.830  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.422   1.192  -0.328  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.635   1.333  -1.002  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.748   0.741  -2.268  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.668   0.051  -2.809  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.303   1.813   0.897  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.169   1.391   1.645  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.803   2.052  -0.383  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.708   1.121   0.277  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.498   0.758   1.559  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.507  -0.075   1.824  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.372  -0.235   0.727  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.835   0.558  -0.259  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.238  -1.449  -2.046  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.036  -2.867  -2.249  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.890  -0.613  -3.031  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -4.564  -0.909   1.899  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.646   0.048   1.482  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1       -2.979  -0.106   0.261  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.182  -1.243  -0.537  0.00  0.00    +0.153 A 
ATOM     26  C   LIG    1       -4.141  -2.199  -0.144  0.00  0.00    -0.017 A 
ATOM     27  C   LIG    1       -4.493  -3.415  -0.957  0.00  0.00    +0.046 C 
ATOM     28  C   LIG    1       -4.809  -2.016   1.083  0.00  0.00    +0.051 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -5.062   0.214   3.936  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -5.285  -0.883   3.059  0.00  0.00    -0.495 OA
ENDBRANCH  22  30
BRANCH  24  31
ATOM     31  O   LIG    1       -2.070   0.861  -0.088  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -2.740   2.001  -0.640  0.00  0.00    +0.277 C 
ENDBRANCH  24  31
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 8