REMARK  Name = BDB001057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.983  -0.833  -0.286  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.809  -1.436  -1.528  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.298  -2.139  -1.807  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.792  -1.328  -2.507  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.966  -0.621  -2.238  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -3.167  -0.025  -0.983  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -2.171  -0.148  -0.002  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.322  -1.411   1.857  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.036  -0.951   0.774  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.332  -0.509   0.532  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        2.334  -0.700   1.583  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        3.767  -0.720   1.031  0.00  0.00    +0.128 C 
ATOM     13  N   LIG    1        4.087   0.467   0.225  0.00  0.00    -0.282 N 
ATOM     14  C   LIG    1        5.274   1.169   0.355  0.00  0.00    +0.305 C 
ATOM     15  N   LIG    1        6.407   0.435   0.693  0.00  0.00    -0.281 N 
ATOM     16  C   LIG    1        6.684  -0.818  -0.028  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1        8.181  -1.153  -0.070  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1        8.975  -0.092  -0.614  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        8.563   1.220  -0.188  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1        7.614   1.202   1.013  0.00  0.00    +0.137 C 
ATOM     21  O   LIG    1        5.320   2.386   0.169  0.00  0.00    -0.252 OA
ATOM     22  C   LIG    1        2.940   1.199  -0.318  0.00  0.00    +0.128 C 
ATOM     23  C   LIG    1        1.749   0.287  -0.632  0.00  0.00    +0.127 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -4.457   0.705  -0.678  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.622  -0.180  -0.245  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -6.891   0.479   0.166  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.942  -0.344   0.564  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -9.166   0.204   0.965  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -9.338   1.587   0.966  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.293   2.418   0.564  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.754  -1.804   0.554  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -8.651  -2.565   0.898  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.526  -2.249   0.133  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -6.371  -3.253   0.127  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -7.070   1.869   0.164  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -5.481  -1.473  -0.257  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3