REMARK  Name = BDB051140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.808   0.906  -1.341  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.588   0.898   0.036  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        4.671   0.882   0.923  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        5.989   0.878   0.446  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        6.204   0.876  -0.936  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        5.121   0.892  -1.818  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        2.853   0.918  -2.318  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.477   0.960  -1.938  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.933  -0.450  -1.676  0.00  0.00    +0.148 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -1.481  -0.256  -2.016  0.00  0.00    +0.215 C 
ATOM     11  N   LIG    1       -0.426  -0.452  -1.127  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -0.546  -0.343   0.320  0.00  0.00    +0.132 C 
ATOM     13  O   LIG    1       -1.296  -0.166  -3.230  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -2.877  -0.163  -1.416  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.953   0.074  -2.478  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -5.349   0.292  -1.885  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.912  -0.953  -1.195  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -7.362  -0.783  -0.737  0.00  0.00    -0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -7.628   0.311   0.303  0.00  0.00    -0.000 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.634   0.744   1.845  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -6.986   0.068   1.673  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1        7.152   0.846   1.411  0.00  0.00    +0.083 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.476  -0.530   1.900  0.00  0.00    +0.058 A 
ATOM     24  C   LIG    1        7.202  -1.053   3.103  0.00  0.00    +0.204 A 
ATOM     25  N   LIG    1        7.646  -2.325   3.285  0.00  0.00    -0.287 N 
ATOM     26  H   LIG    1        7.524  -2.877   4.119  0.00  0.00    +0.172 HD
ATOM     27  C   LIG    1        8.314  -2.880   2.221  0.00  0.00    +0.291 A 
ATOM     28  O   LIG    1        8.794  -3.999   2.169  0.00  0.00    -0.260 OA
ATOM     29  S   LIG    1        8.370  -1.682   0.925  0.00  0.00    -0.028 S 
BRANCH  24  30
ATOM     30  O   LIG    1        6.539  -0.431   4.111  0.00  0.00    -0.493 OA
ATOM     31  H   LIG    1        6.512  -1.043   4.863  0.00  0.00    +0.294 HD
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 14