REMARK  Name = BDB032986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -0.748  -1.709  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        1.210  -0.569  -1.859  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.517  -0.587  -2.822  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.862  -0.802  -2.708  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.543   0.148   0.138  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.786  -0.926  -0.396  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -0.679  -2.173   0.261  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1        0.056  -3.336  -0.345  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -1.254  -2.309   1.528  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.933  -1.241   2.109  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.069  -0.028   1.424  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     12  N   LIG    1       -1.623   1.374  -0.551  0.00  0.00    -0.344 N 
ATOM     13  H   LIG    1       -1.642   1.202  -1.561  0.00  0.00    +0.146 HD
BRANCH  12  15
ATOM     14  C   LIG    1       -2.579   3.539  -1.118  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -2.622   2.362  -0.155  0.00  0.00    +0.098 C 
ENDBRANCH  12  15
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.216  -0.272  -0.980  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1        1.977   0.071   0.672  0.00  0.00    -0.028 S 
ATOM     18  C   LIG    1        3.642   0.328   0.850  0.00  0.00    +0.185 A 
ATOM     19  C   LIG    1        4.290   0.154  -0.348  0.00  0.00    +0.153 A 
ATOM     20  N   LIG    1        3.460  -0.187  -1.402  0.00  0.00    -0.231 NA
BRANCH  18  21
ATOM     21  N   LIG    1        4.228   0.679   2.102  0.00  0.00    +0.065 N 
ATOM     22  O   LIG    1        5.451   0.871   2.099  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        3.491   0.761   3.092  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH   2  16
TORSDOF 5