REMARK  Name = BDB002241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.570   0.692  -0.945  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -5.128   0.493  -0.569  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1       -4.485  -0.743  -0.746  0.00  0.00    -0.045 A 
ATOM      4  C   LIG    1       -5.205  -1.931  -1.322  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -3.134  -0.871  -0.375  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -2.404   0.181   0.163  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -3.052   1.413   0.339  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.310   2.468   0.882  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -0.968   2.286   1.235  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1       -0.414   1.020   1.026  0.00  0.00    +0.101 A 
ATOM     11  C   LIG    1       -0.193   3.433   1.815  0.00  0.00    +0.046 C 
ATOM     12  N   LIG    1       -1.117  -0.009   0.496  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1       -4.402   1.563  -0.026  0.00  0.00    +0.013 A 
ENDROOT
BRANCH  10  14
ATOM     14  S   LIG    1        1.297   0.682   1.426  0.00  0.00    -0.096 S 
BRANCH  14  15
ATOM     15  C   LIG    1        1.309  -1.137   1.293  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.688  -1.668   1.638  0.00  0.00    +0.224 C 
ATOM     17  N   LIG    1        3.690  -1.252   0.786  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1        3.518  -0.399   0.265  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        2.885  -2.444   2.569  0.00  0.00    -0.275 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.068  -1.558   1.085  0.00  0.00    +0.178 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.898  -1.179  -0.082  0.00  0.00    +0.122 A 
ATOM     22  O   LIG    1        5.981   0.155  -0.367  0.00  0.00    -0.466 OA
ATOM     23  C   LIG    1        6.777   0.278  -1.460  0.00  0.00    +0.195 A 
ATOM     24  C   LIG    1        7.205  -0.958  -1.886  0.00  0.00    +0.041 A 
ATOM     25  C   LIG    1        6.637  -1.901  -0.996  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 5