REMARK  Name = BDB056408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121   0.361  -0.484  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        1.017   1.249   0.124  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.317   1.397  -0.364  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        2.732   0.634  -1.459  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        1.852  -0.257  -2.080  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        0.553  -0.397  -1.584  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        4.369   0.837  -2.115  0.00  0.00    +0.073 S 
ATOM      8  O   LIG    1        4.239   0.826  -3.560  0.00  0.00    -0.150 OA
ATOM      9  O   LIG    1        5.025   1.947  -1.457  0.00  0.00    -0.150 OA
BRANCH   7  10
ATOM     10  N   LIG    1        5.151  -0.590  -1.736  0.00  0.00    -0.199 N 
ATOM     11  H   LIG    1        5.667  -0.975  -2.519  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  C   LIG    1        5.624  -0.795  -0.429  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        4.810  -0.426   0.571  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1        5.221  -0.697   1.829  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        6.404  -1.351   2.128  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        7.212  -1.757   1.073  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        6.811  -1.485  -0.233  0.00  0.00    +0.045 A 
ENDBRANCH  10  12
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  19
ATOM     18  N   LIG    1       -2.039   0.518  -0.797  0.00  0.00    -0.149 NA
ATOM     19  N   LIG    1       -1.172   0.217   0.053  0.00  0.00    -0.149 NA
BRANCH  18  26
ATOM     20  C   LIG    1       -6.279   2.686   0.454  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -5.452   1.436   0.359  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1       -5.933   0.180   0.758  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1       -5.140  -0.971   0.653  0.00  0.00    -0.007 A 
ATOM     24  C   LIG    1       -5.666  -2.313   1.077  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -3.840  -0.855   0.141  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.330   0.387  -0.253  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -4.146   1.519  -0.149  0.00  0.00    +0.036 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -7.195   0.019   1.264  0.00  0.00    -0.506 OA
ATOM     29  H   LIG    1       -7.646   0.876   1.297  0.00  0.00    +0.292 HD
ENDBRANCH  22  28
ENDBRANCH  18  26
ENDBRANCH   1  19
TORSDOF 6