REMARK  Name = BDB054841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.043  -0.676  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.979  -0.037   0.178  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -4.312   1.179  -0.027  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -2.941   1.206  -0.301  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.206   0.015  -0.374  0.00  0.00    -0.037 A 
ATOM      6  C   LIG    1       -2.872  -1.203  -0.183  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -4.243  -1.227   0.091  0.00  0.00    +0.009 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -6.947   0.273   1.734  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -6.420  -0.067   0.468  0.00  0.00    -0.000 A 
ATOM     10  C   LIG    1       -7.314  -0.451  -0.551  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -8.690  -0.493  -0.320  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -9.183  -0.152   0.931  0.00  0.00    +0.125 A 
ATOM     13  F   LIG    1      -10.503  -0.193   1.153  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -8.330   0.229   1.958  0.00  0.00    +0.057 A 
BRANCH   8  16
ATOM     15  N   LIG    1       -5.428   0.983   3.718  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -6.093   0.661   2.823  0.00  0.00    +0.100 C 
ENDBRANCH   8  16
ENDBRANCH   2   9
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1       -0.411  -0.058  -2.457  0.00  0.00    -0.061 S 
BRANCH  17  18
ATOM     18  C   LIG    1        1.323  -0.007  -2.468  0.00  0.00    +0.278 A 
ATOM     19  O   LIG    1        2.093   0.106  -1.339  0.00  0.00    -0.411 OA
ATOM     20  C   LIG    1        3.363   0.103  -1.857  0.00  0.00    +0.249 A 
ATOM     21  N   LIG    1        3.371  -0.001  -3.169  0.00  0.00    -0.106 NA
ATOM     22  N   LIG    1        2.050  -0.072  -3.564  0.00  0.00    -0.101 NA
BRANCH  20  23
ATOM     23  C   LIG    1        4.471   0.211  -0.917  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        5.790   0.208  -1.399  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        6.867   0.318  -0.519  0.00  0.00    +0.163 A 
ATOM     26  O   LIG    1        8.120   0.328  -1.079  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1        9.106   0.783  -0.145  0.00  0.00    +0.270 C 
ATOM     28  C   LIG    1        8.916   0.111   1.205  0.00  0.00    +0.270 C 
ATOM     29  O   LIG    1        7.655   0.477   1.780  0.00  0.00    -0.485 OA
ATOM     30  C   LIG    1        6.645   0.401   0.857  0.00  0.00    +0.162 A 
ATOM     31  C   LIG    1        5.343   0.419   1.350  0.00  0.00    +0.050 A 
ATOM     32  C   LIG    1        4.262   0.324   0.468  0.00  0.00    +0.017 A 
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6