REMARK  Name = BDB042540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.888  -0.852   1.803  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.292   0.110   1.314  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.950  -0.038   0.698  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.583   0.993  -0.127  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.109   0.961  -0.008  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        3.650  -0.439  -0.129  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        2.849  -1.494   0.103  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.403  -1.410   0.492  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.074  -0.610  -0.483  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        5.468  -1.553  -1.448  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        6.814  -1.702  -1.794  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.771  -0.906  -1.178  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        9.061  -1.047  -1.509  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        7.407   0.037  -0.225  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        6.061   0.186   0.119  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -0.861   1.520   1.395  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.241   1.575   2.057  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.355   1.160   1.124  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -3.760   2.080   0.182  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.320   2.992   0.138  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.761   1.877  -0.742  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1       -5.070   2.738  -1.558  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.442   0.561  -0.697  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -5.036  -0.376   0.268  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1       -5.669  -1.623   0.320  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1       -6.693  -1.922  -0.582  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.080  -0.977  -1.530  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1       -8.063  -1.275  -2.389  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.465   0.265  -1.599  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1       -3.959  -0.036   1.200  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4