REMARK  Name = BDB033751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.109   0.513   0.031  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -0.627   1.331   0.376  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.193  -0.529  -0.078  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.063  -0.213   0.293  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1        2.032  -1.157   0.219  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        1.720  -2.440  -0.208  0.00  0.00    +0.181 A 
ATOM      7  F   LIG    1        2.622  -3.430  -0.260  0.00  0.00    -0.200 F 
ATOM      8  C   LIG    1        0.417  -2.679  -0.562  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.550  -1.745  -0.512  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  N   LIG    1        3.350  -0.826   0.621  0.00  0.00    -0.313 N 
ATOM     11  C   LIG    1        3.439   0.474   1.306  0.00  0.00    +0.106 C 
ATOM     12  C   LIG    1        4.839   0.653   1.894  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        5.912   0.497   0.822  0.00  0.00    +0.003 C 
ATOM     14  C   LIG    1        5.749  -0.832   0.091  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1        4.333  -0.995  -0.464  0.00  0.00    +0.106 C 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  19
ATOM     16  C   LIG    1       -5.195   1.065  -0.837  0.00  0.00    +0.105 A 
ATOM     17  C   LIG    1       -4.592  -0.145  -1.172  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -3.235  -0.342  -0.890  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -2.462   0.660  -0.291  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -3.097   1.874   0.028  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.452   2.084  -0.245  0.00  0.00    +0.030 A 
BRANCH  16  22
ATOM     22  S   LIG    1       -6.912   1.325  -1.187  0.00  0.00    +0.056 S 
ATOM     23  O   LIG    1       -7.143   2.743  -1.328  0.00  0.00    -0.153 OA
ATOM     24  O   LIG    1       -7.331   0.365  -2.183  0.00  0.00    -0.153 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -7.626   0.824   0.255  0.00  0.00    -0.204 NA
ATOM     26  H   LIG    1       -6.950   0.652   0.998  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -8.202   0.002   0.067  0.00  0.00    +0.144 HD
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 5