REMARK  Name = BDB032972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.014  -0.339  -0.863  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -0.835   0.397  -0.721  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        0.394  -0.210  -0.380  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        0.448  -1.607  -0.200  0.00  0.00    +0.133 A 
ATOM      5  C   LIG    1       -0.720  -2.354  -0.386  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.924  -1.726  -0.722  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.573   0.720  -0.233  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        2.800   0.120  -0.083  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.855  -0.890  -0.053  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        1.373   1.930  -0.261  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.964   0.815   0.061  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        5.340  -0.183   0.258  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        6.298   1.218   0.365  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        5.527   2.350   0.246  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        4.176   2.107   0.071  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        7.710   1.155   0.554  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        8.307   2.237   0.615  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        8.238   0.039   0.645  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -3.234   0.210  -1.269  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.020  -0.340  -0.932  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.450   1.651  -1.172  0.00  0.00    +0.101 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.867   2.020  -1.623  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.925   2.011   0.705  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.002   1.509  -0.729  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  O   LIG    1        1.655  -2.169   0.134  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.681  -3.559   0.467  0.00  0.00    +0.226 C 
ATOM     27  C   LIG    1        3.093  -3.902   0.906  0.00  0.00    +0.048 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 9