REMARK  Name = BDB042522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.969  -0.349  -1.924  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.343   0.450  -1.225  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.921   0.146  -0.721  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.597   0.923   0.319  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.116   0.923   0.133  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        3.648  -0.458  -0.142  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        2.826  -1.416  -0.609  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.366  -1.233  -0.900  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.083  -0.716   0.095  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.509  -1.885   0.740  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        6.864  -2.105   0.970  0.00  0.00    +0.124 A 
ATOM     12  F   LIG    1        7.252  -3.228   1.590  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        7.820  -1.180   0.573  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        7.415  -0.011  -0.065  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.054   0.219  -0.300  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1       -0.898   1.832  -0.911  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.303   2.060  -1.478  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.383   1.415  -0.641  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1       -3.738   2.055   0.525  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1       -3.288   2.922   0.790  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1       -4.705   1.619   1.409  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -4.948   2.256   2.426  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.403   0.361   1.050  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -5.047  -0.287  -0.144  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1       -5.692  -1.477  -0.502  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -6.684  -2.015   0.321  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.034  -1.366   1.505  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -6.393  -0.182   1.865  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1       -6.761   0.406   3.012  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -4.005   0.282  -1.001  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4