REMARK  Name = BDB019724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388   0.874  -2.157  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.531   0.886  -1.349  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.189   2.091  -1.062  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.691   3.270  -1.620  0.00  0.00    +0.128 A 
ATOM      5  F   LIG    1       -2.292   4.439  -1.358  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -0.570   3.265  -2.448  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        0.090   2.064  -2.718  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.358  -1.450  -2.510  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.297  -0.423  -2.381  0.00  0.00    +0.244 C 
ATOM     10  N   LIG    1        1.675  -0.380  -2.365  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        2.120   0.463  -2.028  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.452  -1.597  -2.310  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.779  -1.952  -0.881  0.00  0.00    -0.028 A 
ATOM     14  C   LIG    1        4.025  -1.625  -0.327  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        4.300  -1.925   1.009  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.836  -1.519   1.671  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.346  -2.545   1.812  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        2.106  -2.865   1.268  0.00  0.00    +0.043 A 
ATOM     19 CL   LIG    1        0.912  -3.619   2.253  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        1.819  -2.574  -0.067  0.00  0.00    +0.025 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.364   2.118  -0.120  0.00  0.00    +0.142 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -2.919   2.205   1.260  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -2.390   3.057   1.427  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.328   1.177   1.907  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -2.872  -0.058   1.765  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -3.884  -0.055   1.795  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -2.234  -0.914   2.744  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -1.005  -0.083   3.124  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -1.286   1.310   2.675  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6