REMARK  Name = BDB000902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.532  -0.786   0.062  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.163   0.286  -0.760  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.175   0.684  -0.831  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.156   0.015  -0.087  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.783  -1.071   0.717  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.552  -1.473   0.788  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        3.162  -2.443   0.285  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.946  -1.243   0.166  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        3.885  -0.226   0.153  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        3.530   0.720   0.187  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        5.289  -0.358   0.195  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        6.041   0.822   0.262  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        7.447   0.790   0.295  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        8.096  -0.451   0.274  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        7.355  -1.628   0.203  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.959  -1.581   0.162  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        8.236   2.071   0.392  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        9.483   1.978  -0.148  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.413   2.474   1.680  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.633   3.114  -0.246  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  21
ATOM     21  C   LIG    1       -2.605   0.429  -0.175  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.389  -0.432  -1.172  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.768   0.020  -1.310  0.00  0.00    -0.328 N 
ATOM     24  H   LIG    1       -4.902   0.936  -1.724  0.00  0.00    +0.147 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.652  -0.248  -0.269  0.00  0.00    +0.136 A 
ATOM     26  C   LIG    1       -6.840   0.477  -0.095  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1       -7.688   0.156   0.960  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1       -8.846   0.988   0.994  0.00  0.00    +0.036 A 
ATOM     29  C   LIG    1       -8.858   1.916  -0.022  0.00  0.00    +0.048 A 
ATOM     30  N   LIG    1       -7.420  -0.838   1.839  0.00  0.00    -0.235 NA
ATOM     31  C   LIG    1       -6.273  -1.477   1.597  0.00  0.00    +0.223 A 
ATOM     32  S   LIG    1       -7.475   1.789  -1.018  0.00  0.00    -0.092 S 
ATOM     33  N   LIG    1       -5.392  -1.235   0.615  0.00  0.00    -0.220 NA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7