REMARK  Name = BDB054382
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.055   1.486   0.013  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.531   1.586   0.192  0.00  0.00    +0.109 A 
ATOM      3  S   LIG    1        3.294   3.072   0.580  0.00  0.00    +0.030 S 
ATOM      4  N   LIG    1        4.820   2.408   0.572  0.00  0.00    -0.189 NA
ATOM      5  C   LIG    1        4.689   1.105   0.289  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        3.403   0.608   0.051  0.00  0.00    -0.222 NA
BRANCH   5   7
ATOM      7  C   LIG    1        5.845   0.206   0.214  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        7.149   0.685   0.399  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        8.234  -0.186   0.323  0.00  0.00    +0.136 A 
ATOM     10  F   LIG    1        9.467   0.307   0.502  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        8.062  -1.544   0.067  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        6.761  -2.030  -0.118  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.665  -1.162  -0.045  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1        9.265  -2.434  -0.004  0.00  0.00    +0.420 C 
ATOM     15  F   LIG    1       10.127  -2.085  -0.997  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.947  -3.740  -0.242  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.991  -2.443   1.148  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1        0.216   1.217   1.612  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.252   3.006  -0.563  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.488   1.844   0.014  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -4.079   0.567   0.099  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -3.347  -0.482   0.655  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.041  -0.275   1.115  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -1.447   0.982   1.020  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.177   2.042   0.480  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -5.355   0.494  -0.381  0.00  0.00    -0.475 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.088  -0.728  -0.478  0.00  0.00    +0.200 C 
ATOM     28  C   LIG    1       -7.321  -0.376  -1.335  0.00  0.00    +0.067 C 
ATOM     29  C   LIG    1       -6.607  -1.150   0.906  0.00  0.00    +0.067 C 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.395  -1.896  -1.204  0.00  0.00    +0.348 C 
ATOM     31  O   LIG    1       -5.327  -3.055  -0.821  0.00  0.00    -0.247 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -4.823  -1.544  -2.376  0.00  0.00    -0.478 OA
ATOM     33  H   LIG    1       -4.413  -2.370  -2.707  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9