REMARK  Name = BDB052573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.485   0.221  -1.283  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.681  -0.282  -1.768  0.00  0.00    +0.116 A 
ATOM      3  N   LIG    1        1.900  -1.609  -1.912  0.00  0.00    -0.228 NA
ATOM      4  C   LIG    1        0.896  -2.414  -1.555  0.00  0.00    +0.224 A 
ATOM      5  N   LIG    1       -0.296  -2.024  -1.090  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -0.513  -0.698  -0.970  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.735   2.230  -1.657  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1        0.212   1.650  -1.156  0.00  0.00    +0.343 C 
BRANCH   8   9
ATOM      9  O   LIG    1        1.081   2.266  -0.338  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1        0.775   3.195  -0.291  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   6  11
ATOM     11  N   LIG    1       -1.741  -0.269  -0.435  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1       -2.094   0.539  -0.952  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.761  -1.299  -0.294  0.00  0.00    +0.138 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.035  -0.661   0.212  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -4.134  -0.241   1.547  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.303   0.360   2.016  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.382   0.551   1.156  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.293   0.147  -0.175  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.124  -0.454  -0.647  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   6  11
BRANCH   2  20
ATOM     20  S   LIG    1        3.005   0.754  -2.379  0.00  0.00    -0.100 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.417  -0.003  -1.513  0.00  0.00    +0.111 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.385   0.221  -0.020  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1        4.710   1.473   0.522  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.668   1.681   1.902  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.298   0.641   2.753  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.971  -0.606   2.227  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.014  -0.817   0.848  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8