REMARK  Name = BDB054910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.182  -2.109  -0.434  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.744  -2.100   0.878  0.00  0.00    +0.164 A 
ATOM      3  N   LIG    1        0.444  -1.377   1.068  0.00  0.00    -0.234 NA
ATOM      4  C   LIG    1        0.894  -0.895  -0.073  0.00  0.00    +0.110 A 
ATOM      5  S   LIG    1       -0.064  -1.304  -1.444  0.00  0.00    -0.062 S 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.135  -0.104  -0.190  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        2.428   0.714  -1.290  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        3.628   1.450  -1.330  0.00  0.00    +0.151 A 
ATOM      9  C   LIG    1        4.550   1.391  -0.285  0.00  0.00    +0.118 A 
ATOM     10  C   LIG    1        4.268   0.573   0.813  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.070  -0.153   0.860  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  S   LIG    1        6.138   2.183  -0.356  0.00  0.00    -0.004 S 
ATOM     13  O   LIG    1        6.504   2.296  -1.752  0.00  0.00    -0.170 OA
ATOM     14  O   LIG    1        7.002   1.458   0.558  0.00  0.00    -0.170 OA
ATOM     15  C   LIG    1        5.882   3.798   0.329  0.00  0.00    +0.200 C 
ENDBRANCH   9  12
BRANCH   8  16
ATOM     16  N   LIG    1        3.808   2.332  -2.467  0.00  0.00    +0.058 N 
ATOM     17  O   LIG    1        3.772   1.819  -3.591  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        3.881   3.542  -2.216  0.00  0.00    -0.126 OA
ENDBRANCH   8  16
ENDBRANCH   4   6
BRANCH   1  21
ATOM     19  C   LIG    1       -4.540  -2.777  -2.027  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.407  -2.067  -1.453  0.00  0.00    -0.296 N 
ATOM     21  C   LIG    1       -2.322  -2.811  -0.976  0.00  0.00    +0.255 C 
ATOM     22  O   LIG    1       -2.339  -4.040  -0.971  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.506  -0.605  -1.429  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.550  -0.013  -0.040  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -4.403  -0.528   0.947  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.427   0.027   2.227  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.610   1.112   2.533  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.774   1.649   1.557  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.749   1.095   0.277  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  21
BRANCH   2  30
ATOM     30  C   LIG    1       -1.413  -2.790   2.033  0.00  0.00    +0.435 C 
ATOM     31  F   LIG    1       -2.740  -3.000   1.831  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1       -0.858  -4.006   2.279  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1       -1.311  -2.077   3.186  0.00  0.00    -0.164 F 
ENDBRANCH   2  30
TORSDOF 7