REMARK  Name = BDB051440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.093   0.667  -0.213  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.222   1.461  -0.971  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        0.878   1.074  -1.088  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        0.390  -0.080  -0.475  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.955  -0.337  -0.677  0.00  0.00    -0.233 NA
ATOM      6  C   LIG    1       -1.479   0.608  -1.418  0.00  0.00    +0.137 A 
ATOM      7  C   LIG    1        1.280  -0.871   0.277  0.00  0.00    +0.032 A 
ATOM      8  S   LIG    1       -0.408   1.838  -1.938  0.00  0.00    -0.061 S 
ATOM      9  C   LIG    1        2.624  -0.491   0.400  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        4.377   1.139  -0.172  0.00  0.00    -0.492 OA
BRANCH  10  12
ATOM     11  C   LIG    1        6.038  -0.624  -0.060  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1        5.326   0.497   0.677  0.00  0.00    +0.225 C 
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  13
ATOM     13  S   LIG    1       -3.162   0.595  -1.890  0.00  0.00    -0.081 S 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.047  -0.063  -0.400  0.00  0.00    +0.114 C 
ATOM     15  C   LIG    1       -3.675   0.740   0.853  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1       -3.793  -1.562  -0.208  0.00  0.00    +0.034 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.565   0.089  -0.633  0.00  0.00    +0.321 C 
ATOM     18  O   LIG    1       -6.390   0.191   0.267  0.00  0.00    -0.249 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -5.958   0.032  -1.930  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -5.192  -0.012  -2.539  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   6  13
TORSDOF 6