REMARK  Name = BDB053346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.179   0.035   0.691  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.254   1.343   0.968  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -1.607   1.640   1.185  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.563   0.635   1.114  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.165  -0.675   0.866  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -0.811  -0.966   0.651  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        7.634   0.333  -0.240  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1        6.255  -0.236  -0.118  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1        5.154   0.586   0.145  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.902  -0.006   0.211  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1        3.776  -1.361   0.008  0.00  0.00    +0.130 A 
ATOM     12  S   LIG    1        2.094  -1.888   0.137  0.00  0.00    +0.017 S 
ATOM     13  N   LIG    1        1.562  -0.267   0.467  0.00  0.00    -0.244 N 
ATOM     14  N   LIG    1        4.801  -2.190  -0.262  0.00  0.00    -0.246 NA
ATOM     15  C   LIG    1        2.619   0.657   0.479  0.00  0.00    +0.272 A 
ATOM     16  O   LIG    1        2.607   1.865   0.669  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        6.021  -1.602  -0.323  0.00  0.00    +0.115 A 
ENDBRANCH   1  13
BRANCH   4  18
ATOM     18  O   LIG    1       -3.867   0.989   1.369  0.00  0.00    -0.456 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.836   0.474   0.538  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -4.745   0.542  -0.854  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -5.779   0.032  -1.641  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -6.906  -0.527  -1.036  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -7.004  -0.572   0.355  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.972  -0.064   1.143  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 3