REMARK  Name = BDB027731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.837   0.719  -0.463  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.680   1.880  -1.244  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.624   2.360  -1.362  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.788   3.507  -2.126  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.198   4.191  -2.764  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.440   3.695  -2.643  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.671   1.771  -0.770  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.424   0.652  -0.075  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1       -1.730   2.562  -1.906  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.216   0.096   0.094  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.559   0.070   0.653  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.838  -1.309   0.686  0.00  0.00    +0.084 A 
ATOM     13  C   LIG    1        3.921  -1.738   1.451  0.00  0.00    +0.125 A 
ATOM     14  N   LIG    1        4.740  -0.921   2.145  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        4.471   0.393   2.077  0.00  0.00    +0.130 A 
ATOM     16 CL   LIG    1        5.539   1.394   2.967  0.00  0.00    -0.062 Cl
ATOM     17  C   LIG    1        3.419   0.930   1.363  0.00  0.00    +0.052 A 
BRANCH  12  18
ATOM     18  C   LIG    1        2.039  -2.345  -0.048  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1        2.765  -3.477  -0.292  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        0.956  -2.768   0.655  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        1.600  -1.946  -1.270  0.00  0.00    -0.166 F 
ENDBRANCH  12  18
ENDBRANCH   8  11
BRANCH   1  22
ATOM     22  N   LIG    1       -2.139   0.238  -0.250  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -2.679   0.978   0.193  0.00  0.00    +0.148 HD
BRANCH  22  25
ATOM     24  C   LIG    1       -1.894  -1.211   1.776  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -2.435  -1.076   0.347  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -3.976  -1.174   0.420  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -1.947  -2.206  -0.567  0.00  0.00    +0.031 C 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 4