REMARK  Name = BDB054918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.073  -0.317  -1.324  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.667  -1.587  -0.956  0.00  0.00    +0.164 A 
ATOM      3  N   LIG    1        0.696  -1.666  -0.637  0.00  0.00    -0.234 NA
ATOM      4  C   LIG    1        1.302  -0.512  -0.840  0.00  0.00    +0.110 A 
ATOM      5  S   LIG    1        0.261   0.750  -1.373  0.00  0.00    -0.062 S 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1       -6.424   1.815   1.519  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -5.554   0.585   1.257  0.00  0.00    -0.011 C 
ATOM      8  C   LIG    1       -5.793   0.017  -0.153  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1       -4.741   0.488  -1.152  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1       -3.386   0.131  -0.733  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -2.383   0.155  -1.707  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -2.610   0.549  -2.849  0.00  0.00    -0.269 OA
ATOM     13  C   LIG    1       -3.149   0.001   0.709  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1       -4.073   0.916   1.506  0.00  0.00    +0.022 C 
ENDBRANCH   1  11
BRANCH   4  15
ATOM     15  C   LIG    1        2.744  -0.296  -0.605  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.453  -1.240   0.155  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        4.826  -1.076   0.397  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1        5.521   0.027  -0.101  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        4.830   0.962  -0.877  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.458   0.798  -1.125  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  S   LIG    1        7.231   0.276   0.289  0.00  0.00    -0.004 S 
ATOM     22  O   LIG    1        7.989  -0.317  -0.791  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1        7.403  -0.124   1.671  0.00  0.00    -0.170 OA
ATOM     24  C   LIG    1        7.516   2.024   0.254  0.00  0.00    +0.200 C 
ENDBRANCH  18  21
BRANCH  17  25
ATOM     25  N   LIG    1        5.489  -2.130   1.142  0.00  0.00    +0.058 N 
ATOM     26  O   LIG    1        5.079  -2.340   2.291  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1        6.353  -2.780   0.543  0.00  0.00    -0.126 OA
ENDBRANCH  17  25
ENDBRANCH   4  15
BRANCH   2  28
ATOM     28  C   LIG    1       -1.540  -2.805  -0.879  0.00  0.00    +0.435 C 
ATOM     29  F   LIG    1       -2.025  -2.989   0.377  0.00  0.00    -0.164 F 
ATOM     30  F   LIG    1       -0.877  -3.941  -1.215  0.00  0.00    -0.164 F 
ATOM     31  F   LIG    1       -2.617  -2.728  -1.703  0.00  0.00    -0.164 F 
ENDBRANCH   2  28
TORSDOF 5