REMARK  Name = BDB057621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.996   0.063  -0.359  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.927   0.130   0.682  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        3.283  -0.097   0.438  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        3.705  -0.373  -0.865  0.00  0.00    +0.105 A 
ATOM      5  C   LIG    1        2.786  -0.442  -1.916  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.433  -0.214  -1.659  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   4   7
ATOM      7  S   LIG    1        5.423  -0.660  -1.195  0.00  0.00    +0.056 S 
ATOM      8  O   LIG    1        6.093  -0.928   0.057  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        5.529  -1.536  -2.336  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1        5.935   0.874  -1.665  0.00  0.00    -0.204 NA
ATOM     11  H   LIG    1        5.166   1.530  -1.801  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1        6.612   1.219  -0.982  0.00  0.00    +0.144 HD
ENDBRANCH   7  10
ENDBRANCH   4   7
BRANCH   1  14
ATOM     13  C   LIG    1       -1.081  -0.720   0.193  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1       -0.358   0.312  -0.108  0.00  0.00    -0.255 NA
BRANCH  13  16
ATOM     15  C   LIG    1       -3.220   0.531   0.775  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -2.530  -0.653   0.488  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -3.229  -1.869   0.475  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -4.599  -1.899   0.748  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.277  -0.719   1.047  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.587   0.493   1.070  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.707   2.475  -0.333  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.585   1.740   0.885  0.00  0.00    -0.494 OA
ENDBRANCH  15  22
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 5