REMARK  Name = BDB053337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.307  -0.255   0.037  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1        1.291   0.740   0.144  0.00  0.00    +0.272 A 
ATOM      3  O   LIG    1        1.183   1.948   0.289  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        2.639   0.162   0.059  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.626  -1.207  -0.104  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.732  -1.970  -0.209  0.00  0.00    -0.244 NA
ATOM      7  C   LIG    1        4.916  -1.303  -0.144  0.00  0.00    +0.144 A 
ATOM      8  C   LIG    1        5.013   0.081   0.020  0.00  0.00    +0.145 A 
ATOM      9  C   LIG    1        3.846   0.845   0.125  0.00  0.00    +0.050 A 
ATOM     10  S   LIG    1        0.980  -1.845  -0.160  0.00  0.00    +0.017 S 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.929   0.374   0.164  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.044   1.442   0.281  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -1.657   1.238   0.239  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.109  -0.042   0.080  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -2.021  -1.107  -0.035  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -3.411  -0.905   0.006  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -6.191  -0.349   0.106  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -5.251   0.711   0.221  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  N   LIG    1        6.326   0.709   0.078  0.00  0.00    +0.058 N 
ATOM     20  O   LIG    1        7.318  -0.025  -0.021  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1        6.366   1.937   0.224  0.00  0.00    -0.126 OA
ENDBRANCH   8  19
TORSDOF 3