REMARK  Name = BDB051138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.541  -0.638  -2.222  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.492  -0.554  -0.831  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.664  -0.677  -0.076  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -4.901  -0.892  -0.700  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -4.945  -0.971  -2.096  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.773  -0.848  -2.846  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.481  -0.541  -3.081  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.195  -0.242  -2.536  0.00  0.00    +0.247 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.529  -1.521  -2.107  0.00  0.00    +0.145 C 
BRANCH   9  11
ATOM     10  C   LIG    1        2.095  -0.731  -0.371  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1        1.872  -1.277  -1.618  0.00  0.00    -0.312 N 
ATOM     12  H   LIG    1        2.659  -1.507  -2.212  0.00  0.00    +0.149 HD
ATOM     13  O   LIG    1        1.188  -0.404   0.386  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.569  -0.569  -0.052  0.00  0.00    +0.096 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.797  -0.003   1.348  0.00  0.00    +0.009 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.275   0.054   1.747  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.096   1.020   0.889  0.00  0.00    -0.000 C 
BRANCH  17  19
ATOM     18  C   LIG    1        8.378  -0.012   1.376  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        7.515   1.240   1.419  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
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  20
ATOM     20  C   LIG    1       -6.163  -1.003   0.124  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -6.748   0.325   0.486  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1       -6.678   0.951   1.669  0.00  0.00    +0.204 A 
ATOM     23  N   LIG    1       -7.328   2.144   1.721  0.00  0.00    -0.287 N 
ATOM     24  H   LIG    1       -7.380   2.749   2.524  0.00  0.00    +0.172 HD
ATOM     25  C   LIG    1       -7.967   2.524   0.565  0.00  0.00    +0.291 A 
ATOM     26  O   LIG    1       -8.610   3.545   0.393  0.00  0.00    -0.260 OA
ATOM     27  S   LIG    1       -7.708   1.263  -0.644  0.00  0.00    -0.028 S 
BRANCH  22  28
ATOM     28  O   LIG    1       -6.029   0.499   2.772  0.00  0.00    -0.493 OA
ATOM     29  H   LIG    1       -6.089   1.190   3.450  0.00  0.00    +0.294 HD
ENDBRANCH  22  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 12