REMARK  Name = BDB036717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.115  -0.790   0.740  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -3.389   0.248  -0.193  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1       -2.351   1.086  -0.626  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.083   0.841  -0.106  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1       -0.784  -0.159   0.799  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1        0.611  -0.010   1.020  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1        1.114   0.995   0.299  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.049   1.529  -0.405  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1       -1.818  -1.005   1.239  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.050  -2.485   2.148  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -4.208  -1.557   1.082  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1       -4.730   0.418  -0.616  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1       -5.265  -0.434  -0.456  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -5.410   1.402  -1.235  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1       -6.592   1.184  -1.818  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1       -6.958   2.381  -2.296  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1       -7.836   2.448  -2.800  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1       -6.076   3.374  -2.005  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -5.060   2.770  -1.303  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1        1.363  -0.832   1.845  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1        0.945  -1.619   2.329  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.942  -0.518   2.303  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1        2.974   0.824   2.840  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.318  -1.655   3.121  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.866  -0.648   0.798  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1        4.853   0.275   0.459  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        5.568   0.116  -0.732  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.277  -0.941  -1.597  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.274  -1.862  -1.277  0.00  0.00    -0.048 A 
ATOM     30  C   LIG    1        3.981  -3.021  -2.182  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        3.583  -1.720  -0.066  0.00  0.00    +0.036 A 
BRANCH  26  32
ATOM     32  O   LIG    1        5.227   1.276   1.310  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1        4.753   2.543   0.847  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7