REMARK  Name = BDB003883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.230   0.452  -0.323  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.151  -0.650  -0.587  0.00  0.00    +0.121 C 
ATOM      3  C   LIG    1       -2.553  -0.029  -0.408  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -3.517  -0.800  -1.305  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.692  -0.529  -2.492  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.085  -1.931  -0.788  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -4.387  -2.463  -1.602  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -5.260  -1.772  -0.108  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -6.293  -2.265  -0.559  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -5.234  -1.087   1.239  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.451   0.215   1.300  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.958  -0.015   1.082  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -2.310   1.399  -0.933  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -0.893   1.748  -0.469  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  19
ATOM     15  C   LIG    1        3.989   0.034  -0.038  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        3.392   1.274   0.143  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        2.001   1.408   0.047  0.00  0.00    +0.146 A 
ATOM     18  F   LIG    1        1.499   2.638   0.255  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1        1.142   0.326  -0.235  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        1.774  -0.915  -0.404  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.168  -1.062  -0.312  0.00  0.00    +0.025 A 
BRANCH  15  24
ATOM     22  C   LIG    1        7.745   0.105   0.300  0.00  0.00    +0.109 C 
ATOM     23  C   LIG    1        6.370   0.725   0.304  0.00  0.00    +0.214 C 
ATOM     24  N   LIG    1        5.377  -0.199   0.035  0.00  0.00    -0.286 N 
ATOM     25  H   LIG    1        5.676  -1.154  -0.121  0.00  0.00    +0.155 HD
ATOM     26  O   LIG    1        6.221   1.916   0.553  0.00  0.00    -0.276 OA
ENDBRANCH  15  24
ENDBRANCH   1  19
TORSDOF 2