REMARK  Name = BDB060349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.867   0.586  -1.766  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        0.101  -0.059  -2.740  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -1.265  -0.236  -2.534  0.00  0.00    +0.133 A 
ATOM      4  F   LIG    1       -1.955  -0.907  -3.468  0.00  0.00    -0.205 F 
ATOM      5  C   LIG    1       -1.887   0.243  -1.377  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.110   0.897  -0.407  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.261   1.082  -0.607  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.341   0.060  -1.105  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -3.717  -0.089   0.130  0.00  0.00    -0.166 NA
ATOM     10  N   LIG    1       -5.053  -0.263   0.317  0.00  0.00    -0.226 N 
ATOM     11  C   LIG    1       -6.008  -0.270  -0.684  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -7.235  -0.472  -0.100  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -7.031  -0.584   1.290  0.00  0.00    +0.055 A 
ATOM     14 CL   LIG    1       -8.750  -0.577  -0.861  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -5.575  -0.076  -2.016  0.00  0.00    +0.031 A 
ATOM     16  C   LIG    1       -5.671  -0.442   1.545  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -4.272   0.095  -2.267  0.00  0.00    +0.032 A 
BRANCH  16  18
ATOM     18  C   LIG    1       -4.968  -0.482   2.807  0.00  0.00    +0.260 C 
ATOM     19  O   LIG    1       -3.756  -0.580   2.966  0.00  0.00    -0.269 OA
ATOM     20  N   LIG    1       -5.758  -0.387   3.921  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1       -6.713  -0.067   3.877  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.264  -0.294   4.798  0.00  0.00    +0.145 HD
ENDBRANCH  16  18
ENDBRANCH   5   8
BRANCH   1  27
ATOM     23  C   LIG    1        5.292  -0.196   0.917  0.00  0.00    +0.121 C 
ATOM     24  C   LIG    1        5.444   1.005  -0.018  0.00  0.00    +0.050 C 
ATOM     25  C   LIG    1        4.625   0.821  -1.289  0.00  0.00    +0.110 C 
ATOM     26  N   LIG    1        3.229   0.504  -1.004  0.00  0.00    -0.297 N 
ATOM     27  C   LIG    1        2.310   0.796  -2.019  0.00  0.00    +0.247 C 
ATOM     28  O   LIG    1        2.629   1.251  -3.115  0.00  0.00    -0.270 OA
ATOM     29  C   LIG    1        3.020  -0.614  -0.078  0.00  0.00    +0.110 C 
ATOM     30  C   LIG    1        3.810  -0.434   1.208  0.00  0.00    +0.050 C 
BRANCH  23  32
ATOM     31  C   LIG    1        7.352  -0.089   2.119  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1        5.938   0.034   2.173  0.00  0.00    -0.380 OA
ENDBRANCH  23  32
ENDBRANCH   1  27
TORSDOF 4