REMARK  Name = BDB021907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.366  -0.132  -3.107  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.726   0.215  -1.983  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1        4.015   0.660  -1.868  0.00  0.00    -0.268 N 
ATOM      4  H   LIG    1        4.520   0.406  -2.711  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        2.002   0.085  -0.836  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        2.415   0.484  -0.009  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.779   1.218  -0.821  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        4.327   2.077   0.194  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1        2.738   2.750   0.248  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        5.217   2.541   1.174  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        6.565   2.184   1.141  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1        7.049   1.366   0.116  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        6.151   0.909  -0.866  0.00  0.00    +0.037 A 
BRANCH  12  14
ATOM     14  C   LIG    1        8.515   1.008   0.038  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        9.130   1.011   1.253  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.730  -0.229  -0.487  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.214   1.876  -0.742  0.00  0.00    -0.166 F 
ENDBRANCH  12  14
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1        0.702  -0.436  -0.677  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -0.049  -0.999  -1.709  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1       -1.335  -1.496  -1.464  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.896  -1.435  -0.183  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -1.136  -0.881   0.854  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.147  -0.384   0.608  0.00  0.00    +0.023 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.279  -1.997   0.080  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.158  -1.074   0.817  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1       -4.542   0.107   0.026  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1       -5.997   0.095  -0.443  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -6.964  -0.020   0.733  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.388  -0.848   1.880  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -5.300  -1.800   1.390  0.00  0.00    +0.085 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   5  18
TORSDOF 5