REMARK  Name = BDB050754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033  -0.686   0.541  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1       -0.189  -2.057   0.507  0.00  0.00    +0.170 A 
ATOM      3  F   LIG    1        0.611  -2.902   1.174  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1       -1.247  -2.556  -0.241  0.00  0.00    +0.159 A 
ATOM      5  F   LIG    1       -1.455  -3.878  -0.307  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -2.103  -1.698  -0.931  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.917  -0.308  -0.866  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1       -0.830   0.191  -0.131  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        0.772   0.585   2.307  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.114  -0.117   1.358  0.00  0.00    +0.250 C 
ATOM     11  N   LIG    1        2.435  -0.343   0.994  0.00  0.00    -0.294 N 
ATOM     12  C   LIG    1        3.500   0.285   1.783  0.00  0.00    +0.127 C 
ATOM     13  C   LIG    1        4.591   0.917   0.901  0.00  0.00    +0.126 C 
ATOM     14  N   LIG    1        5.147  -0.050  -0.059  0.00  0.00    -0.307 N 
ATOM     15  C   LIG    1        4.378  -1.266  -0.323  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1        2.862  -0.997  -0.250  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.435   0.124  -0.473  0.00  0.00    +0.161 A 
ATOM     18  S   LIG    1        7.328  -1.055  -1.385  0.00  0.00    -0.061 S 
ATOM     19  C   LIG    1        8.690  -0.024  -1.417  0.00  0.00    +0.068 A 
ATOM     20  C   LIG    1        8.399   1.139  -0.746  0.00  0.00    +0.120 A 
ATOM     21  N   LIG    1        7.128   1.216  -0.217  0.00  0.00    -0.233 NA
ENDBRANCH  14  17
ENDBRANCH   1  10
BRANCH   7  22
ATOM     22  C   LIG    1       -2.842   0.639  -1.597  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.318   0.377  -1.321  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1       -4.933   0.835  -0.049  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -6.284   0.550   0.141  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1       -6.940   0.943   1.315  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1       -6.236   1.625   2.305  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.885   1.914   2.122  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.021  -0.173  -0.908  0.00  0.00    +0.272 A 
ATOM     30  O   LIG    1       -8.211  -0.441  -0.786  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -6.298  -0.524  -2.021  0.00  0.00    -0.242 N 
ATOM     32  H   LIG    1       -6.792  -1.023  -2.756  0.00  0.00    +0.192 HD
ATOM     33  C   LIG    1       -4.232   1.523   0.948  0.00  0.00    +0.010 A 
ATOM     34  N   LIG    1       -4.981  -0.266  -2.238  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 4