REMARK  Name = BDB058854
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.037  -0.409  -0.788  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.210  -0.986  -1.609  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.424  -0.162  -0.784  0.00  0.00    +0.262 C 
ATOM      4  N   LIG    1       -1.227   0.285  -0.252  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.178   0.578   0.727  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -2.455  -0.852  -1.802  0.00  0.00    -0.269 OA
BRANCH   3  10
ATOM      7  C   LIG    1       -7.418  -0.314  -0.604  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -6.115   0.108   0.009  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -4.902  -0.207  -0.622  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -3.677   0.208  -0.076  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -3.686   0.949   1.106  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -2.541   1.362   1.671  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.883   1.281   1.736  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -6.096   0.867   1.185  0.00  0.00    +0.006 A 
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1        0.803  -1.422   0.361  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.441  -0.941   1.679  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.560  -2.788  -0.048  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.507  -1.035   0.075  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        3.041   0.137   0.621  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.393   0.454   0.422  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        5.210  -0.426  -0.328  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        6.562  -0.105  -0.525  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        7.103   1.066   0.010  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.299   1.930   0.748  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.655  -1.603  -0.858  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.952   1.626   0.954  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.308  -1.912  -0.656  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4