REMARK  Name = BDB018501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.831   0.748  -0.139  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1       -0.334   0.111  -1.253  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        0.951  -0.295  -0.948  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1        1.312   0.122   0.292  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.230   0.732   0.778  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -4.146   3.935  -1.652  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -3.801   2.876  -0.716  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -4.703   2.534   0.282  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1       -5.803   3.052   0.450  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -4.266   1.451   1.194  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -3.073   0.839   1.064  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -2.145   1.298   0.010  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.561   2.274  -0.823  0.00  0.00    +0.097 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.647  -0.260   1.961  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.607  -1.382   2.287  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -2.430  -1.646   1.401  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        1.871  -0.977  -1.793  0.00  0.00    +0.077 A 
ATOM     18  C   LIG    1        3.042  -1.566  -1.286  0.00  0.00    +0.064 A 
ATOM     19  C   LIG    1        3.955  -2.196  -2.148  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        3.712  -2.233  -3.519  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.551  -1.660  -4.031  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.631  -1.040  -3.178  0.00  0.00    +0.028 A 
BRANCH  18  23
ATOM     23  C   LIG    1        3.321  -1.714   0.155  0.00  0.00    +0.265 C 
ATOM     24  N   LIG    1        4.251  -0.787   0.637  0.00  0.00    -0.186 N 
ATOM     25  H   LIG    1        4.443   0.061   0.113  0.00  0.00    +0.176 HD
ATOM     26  O   LIG    1        2.811  -2.611   0.805  0.00  0.00    -0.269 OA
BRANCH  24  27
ATOM     27  S   LIG    1        4.821  -0.749   2.188  0.00  0.00    +0.043 S 
ATOM     28  O   LIG    1        5.425  -2.024   2.501  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1        5.595   0.473   2.273  0.00  0.00    -0.155 OA
ATOM     30  C   LIG    1        3.353  -0.522   3.173  0.00  0.00    +0.218 C 
ENDBRANCH  24  27
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 5