REMARK  Name = BDB032973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.629  -1.156  -0.207  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.497  -0.201   0.267  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        1.153   0.576   0.811  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        0.892  -2.195  -0.794  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.453  -0.403   0.847  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1       -2.783   0.510   0.027  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1       -1.450   0.285  -0.370  0.00  0.00    -0.035 A 
ATOM      8  C   LIG    1       -0.783   1.277  -1.281  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -0.792  -0.864   0.107  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.466  -1.789   0.910  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -2.790  -1.553   1.279  0.00  0.00    +0.046 A 
BRANCH   5  13
ATOM     12  C   LIG    1       -5.492   0.825   0.827  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -4.742  -0.291   1.290  0.00  0.00    -0.495 OA
ENDBRANCH   5  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1        2.847  -0.282   0.077  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        3.725   0.998   0.798  0.00  0.00    -0.028 S 
ATOM     16  C   LIG    1        5.159   0.300   0.206  0.00  0.00    +0.185 A 
ATOM     17  C   LIG    1        4.891  -0.849  -0.499  0.00  0.00    +0.153 A 
ATOM     18  N   LIG    1        3.549  -1.177  -0.571  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        6.438   0.885   0.446  0.00  0.00    +0.065 N 
ATOM     20  O   LIG    1        6.486   1.933   1.102  0.00  0.00    -0.126 OA
ATOM     21  O   LIG    1        7.413   0.289  -0.030  0.00  0.00    -0.126 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4