REMARK  Name = BDB032623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.075   0.780   0.557  0.00  0.00    +0.251 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.380   0.705   0.783  0.00  0.00    +0.193 A 
ATOM      3  N   LIG    1        1.274   0.511  -0.240  0.00  0.00    -0.190 NA
ATOM      4  C   LIG    1        2.433   0.556   0.384  0.00  0.00    +0.259 A 
ATOM      5  O   LIG    1        2.305   0.820   1.721  0.00  0.00    -0.333 OA
ATOM      6  N   LIG    1        0.938   0.947   1.976  0.00  0.00    -0.059 NA
BRANCH   4   7
ATOM      7  C   LIG    1        3.784   0.385  -0.137  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        3.967   0.082  -1.496  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.249  -0.086  -2.026  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.365   0.046  -1.204  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.202   0.346   0.147  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.920   0.514   0.678  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  14
ATOM     13  O   LIG    1       -1.784  -1.115   2.222  0.00  0.00    -0.169 OA
ATOM     14  S   LIG    1       -1.849  -0.797   0.808  0.00  0.00    +0.007 S 
ATOM     15  O   LIG    1       -1.351  -1.709  -0.206  0.00  0.00    -0.169 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.570  -0.575   0.450  0.00  0.00    +0.124 A 
ATOM     17  C   LIG    1       -4.377  -1.708   0.508  0.00  0.00    +0.148 A 
ATOM     18  F   LIG    1       -3.869  -2.905   0.828  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1       -5.739  -1.620   0.238  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -6.302  -0.388  -0.094  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.497   0.751  -0.152  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.128   0.664   0.120  0.00  0.00    +0.030 A 
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 4