REMARK  Name = BDB064847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.588  -0.699   0.675  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1        1.686  -0.017  -0.155  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        0.313  -0.066   0.087  0.00  0.00    +0.136 A 
ATOM      4  F   LIG    1       -0.497   0.601  -0.749  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -0.202  -0.792   1.159  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1        0.694  -1.476   1.994  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.074  -1.429   1.756  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.979   0.446  -1.284  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        5.924  -0.086  -0.521  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1        6.225  -0.997   0.488  0.00  0.00    +0.067 A 
ATOM     11  N   LIG    1        5.007  -1.324   1.030  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1        4.863  -1.982   1.779  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        4.023  -0.615   0.381  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1        7.523  -1.417   0.790  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        8.559  -0.876   0.021  0.00  0.00    +0.003 A 
ATOM     16  N   LIG    1        4.567   0.144  -0.552  0.00  0.00    -0.227 NA
ATOM     17  C   LIG    1        8.298   0.040  -1.001  0.00  0.00    +0.015 A 
BRANCH   8  21
ATOM     18  N   LIG    1        7.568   2.460  -2.479  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        8.147   2.739  -1.700  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        7.292   3.178  -3.137  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        6.708   1.397  -2.380  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        5.784   1.263  -3.170  0.00  0.00    -0.270 OA
ENDBRANCH   8  21
ENDBRANCH   1  13
BRANCH   5  23
ATOM     23  C   LIG    1       -1.657  -0.879   1.463  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -2.518  -0.138   0.684  0.00  0.00    -0.307 N 
ATOM     25  H   LIG    1       -2.152   0.328  -0.141  0.00  0.00    +0.149 HD
ATOM     26  O   LIG    1       -2.046  -1.597   2.380  0.00  0.00    -0.270 OA
BRANCH  24  27
ATOM     27  C   LIG    1       -3.959  -0.255   0.824  0.00  0.00    +0.092 C 
ATOM     28  C   LIG    1       -4.752   0.906   0.189  0.00  0.00    +0.130 C 
ATOM     29  N   LIG    1       -5.993   0.287  -0.268  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1       -5.995  -1.147  -0.038  0.00  0.00    +0.110 C 
ATOM     31  C   LIG    1       -4.516  -1.485   0.109  0.00  0.00    +0.043 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -7.118   1.000  -0.466  0.00  0.00    +0.189 A 
ATOM     33  O   LIG    1       -7.012   2.360  -0.468  0.00  0.00    -0.449 OA
ATOM     34  C   LIG    1       -8.253   2.862  -0.690  0.00  0.00    +0.197 A 
ATOM     35  C   LIG    1       -9.164   1.844  -0.837  0.00  0.00    +0.043 A 
ATOM     36  C   LIG    1       -8.430   0.641  -0.694  0.00  0.00    +0.066 A 
ENDBRANCH  29  32
ENDBRANCH  24  27
ENDBRANCH   5  23
TORSDOF 5