REMARK  Name = BDB033078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.566   0.898   1.074  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.621   0.844   0.115  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.178  -0.466   0.359  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.866  -0.916   1.635  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -1.308  -1.914   2.180  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        0.080   0.077   2.270  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.225   1.440   1.826  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.023   0.585   0.966  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.765   0.296   0.483  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.628  -0.418  -0.219  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.184  -0.147   0.388  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        5.471   0.403   0.510  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        6.581  -0.242  -0.036  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.420  -1.458  -0.696  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.151  -2.024  -0.797  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        4.956  -3.538  -1.595  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.034  -1.382  -0.258  0.00  0.00    +0.036 A 
BRANCH  12  18
ATOM     18  O   LIG    1        5.725   1.584   1.157  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        4.901   1.862   1.617  0.00  0.00    +0.292 HD
ENDBRANCH  12  18
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.249  -1.028  -0.445  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.571  -0.312  -0.243  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.138   0.545  -1.216  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1       -5.364   1.181  -0.935  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -6.021   0.977   0.277  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.468   0.131   1.230  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.256  -0.508   0.972  0.00  0.00    +0.006 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.475   0.793  -2.551  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1       -4.157   1.656  -3.355  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -2.227   1.324  -2.423  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -3.323  -0.348  -3.280  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6