REMARK  Name = BDB051405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.520   1.569  -1.254  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.905   1.472  -1.277  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.327   2.333  -2.282  0.00  0.00    +0.135 A 
ATOM      4  C   LIG    1        2.658   2.533  -2.631  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        3.613   1.809  -1.904  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.253   0.926  -0.871  0.00  0.00    +0.018 A 
ATOM      7  O   LIG    1        0.261   2.943  -2.865  0.00  0.00    -0.462 OA
ATOM      8  C   LIG    1        1.888   0.762  -0.555  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -0.852   2.478  -2.239  0.00  0.00    +0.204 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.408  -0.452   1.152  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -3.496   0.929   0.957  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -2.553   1.594   0.166  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.503   0.886  -0.432  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -1.410  -0.495  -0.224  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.353  -1.160   0.567  0.00  0.00    +0.017 A 
BRANCH  10  16
ATOM     16  S   LIG    1       -4.615  -1.315   2.179  0.00  0.00    -0.012 S 
ATOM     17  O   LIG    1       -5.681  -0.183   2.756  0.00  0.00    -0.157 OA
BRANCH  16  19
ATOM     18  C   LIG    1       -6.203  -1.416  -0.118  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1       -5.460  -2.277   0.885  0.00  0.00    +0.092 C 
ENDBRANCH  16  19
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  C   LIG    1        4.283   0.193  -0.134  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        3.839  -0.697   0.806  0.00  0.00    -0.460 OA
ATOM     22  C   LIG    1        4.932  -1.272   1.379  0.00  0.00    +0.103 A 
ATOM     23  C   LIG    1        4.666  -2.270   2.433  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        6.082  -0.766   0.817  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1        5.665   0.176  -0.156  0.00  0.00    +0.050 A 
ENDBRANCH   6  20
TORSDOF 4