REMARK  Name = BDB033721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.266  -0.467  -0.242  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1       -0.382  -0.076  -1.172  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   6
ATOM      3  N   LIG    1        3.697  -1.381   0.887  0.00  0.00    -0.175 NA
ATOM      4  C   LIG    1        2.586  -2.329   1.123  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1        1.294  -1.550   1.337  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1        1.089  -0.425   0.308  0.00  0.00    +0.076 C 
ATOM      7  C   LIG    1        2.090  -0.549  -0.845  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        3.526  -0.542  -0.331  0.00  0.00    +0.111 C 
BRANCH   3   9
ATOM      9  S   LIG    1        5.243  -2.102   1.050  0.00  0.00    +0.080 S 
ATOM     10  O   LIG    1        5.491  -2.905  -0.132  0.00  0.00    -0.151 OA
ATOM     11  O   LIG    1        5.335  -2.676   2.378  0.00  0.00    -0.151 OA
BRANCH   9  15
ATOM     12  C   LIG    1        9.735   0.519   1.651  0.00  0.00    +0.150 C 
ATOM     13  N   LIG    1        8.389   0.159   1.282  0.00  0.00    -0.338 N 
ATOM     14  C   LIG    1        7.752  -1.011   1.575  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        6.494  -0.883   1.019  0.00  0.00    +0.211 A 
ATOM     16  N   LIG    1        6.364   0.353   0.399  0.00  0.00    -0.216 NA
ATOM     17  C   LIG    1        7.520   0.952   0.587  0.00  0.00    +0.201 A 
ENDBRANCH   9  15
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1       -1.271   0.099   0.527  0.00  0.00    +0.219 A 
ATOM     19  N   LIG    1       -2.293   0.622  -0.158  0.00  0.00    -0.178 NA
ATOM     20  C   LIG    1       -3.315   1.137   0.561  0.00  0.00    +0.237 A 
ATOM     21  C   LIG    1       -3.322   1.212   1.933  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1       -2.220   0.666   2.540  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -1.193   0.108   1.865  0.00  0.00    -0.221 NA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.373   1.799   2.689  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -5.211   2.270   3.342  0.00  0.00    -0.191 NA
ENDBRANCH  21  24
BRANCH  20  26
ATOM     26  O   LIG    1       -4.349   1.725  -0.137  0.00  0.00    -0.469 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.843   0.896  -1.192  0.00  0.00    +0.206 C 
ATOM     28  C   LIG    1       -6.215   0.273  -0.848  0.00  0.00    +0.100 C 
ATOM     29  C   LIG    1       -7.175   1.218  -0.117  0.00  0.00    +0.045 C 
ATOM     30  C   LIG    1       -6.724  -0.107  -2.241  0.00  0.00    +0.038 C 
ATOM     31  C   LIG    1       -6.303   1.054  -3.144  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -5.135   1.744  -2.436  0.00  0.00    +0.047 C 
BRANCH  28  33
ATOM     33  O   LIG    1       -6.037  -0.895  -0.046  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -6.907  -1.321   0.061  0.00  0.00    +0.210 HD
ENDBRANCH  28  33
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH   1  18
TORSDOF 8