REMARK  Name = BDB020041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.290   1.292  -1.430  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.023   2.514  -0.816  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -1.350   2.829  -0.525  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.362   1.935  -0.889  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.067   0.717  -1.521  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -0.730   0.402  -1.787  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.665   1.413  -0.904  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1        2.388   1.813  -0.018  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.694   0.912  -1.745  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.928   0.169  -2.692  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        4.050   1.020  -1.035  0.00  0.00    +0.139 C 
BRANCH  11  18
ATOM     12  C   LIG    1        4.097  -3.908  -0.049  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1        4.395  -2.507   0.396  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        4.943  -2.227   1.654  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1        5.316  -3.483   2.779  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        5.203  -0.910   2.039  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        4.921   0.145   1.171  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1        4.381  -0.109  -0.094  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        4.114  -1.436  -0.466  0.00  0.00    +0.010 A 
ENDBRANCH  11  18
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  O   LIG    1       -1.791   3.971   0.085  0.00  0.00    -0.406 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.832   4.722   0.820  0.00  0.00    +0.575 C 
ATOM     22  F   LIG    1        0.030   5.345  -0.014  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1       -0.135   3.942   1.671  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1       -1.467   5.662   1.552  0.00  0.00    -0.133 F 
ENDBRANCH  20  21
ENDBRANCH   3  20
BRANCH   5  25
ATOM     25  C   LIG    1       -3.177  -0.251  -1.873  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.669  -0.927  -0.691  0.00  0.00    -0.313 N 
ATOM     27  C   LIG    1       -4.824  -0.544  -0.006  0.00  0.00    +0.204 A 
ATOM     28  N   LIG    1       -5.637   0.396  -0.333  0.00  0.00    -0.268 NA
ATOM     29  H   LIG    1       -6.387   0.439   0.358  0.00  0.00    +0.190 HD
ATOM     30  N   LIG    1       -4.872  -1.402   1.099  0.00  0.00    -0.320 N 
ATOM     31  C   LIG    1       -5.841  -1.325   2.161  0.00  0.00    +0.152 C 
ATOM     32  C   LIG    1       -3.760  -2.234   1.086  0.00  0.00    +0.106 A 
ATOM     33  C   LIG    1       -3.033  -1.950  -0.002  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7