REMARK  Name = BDB023015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101   2.474   2.365  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.371   2.176   0.933  0.00  0.00    +0.079 C 
ATOM      3  N   LIG    1       -0.399   0.732   0.638  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -1.416  -0.033   1.198  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -2.705   0.285   0.813  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -3.839  -0.381   1.484  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -5.045   0.610   1.597  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -5.400   1.313   0.338  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -6.456   2.296   0.571  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -4.206   1.945  -0.255  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.051   0.947  -0.450  0.00  0.00    +0.125 C 
ATOM     12  O   LIG    1       -1.163  -0.929   2.002  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1        0.917   0.086   0.623  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        1.976   0.880  -0.108  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.773   2.215  -0.409  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        2.816   2.836  -1.057  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        3.974   2.225  -1.364  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        4.095   0.941  -1.010  0.00  0.00    +0.216 A 
ATOM     19  N   LIG    1        3.132   0.243  -0.397  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        0.480   2.913  -0.118  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   6  21
ATOM     21  C   LIG    1       -4.178  -1.740   0.865  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -3.532  -2.894   1.343  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1       -3.815  -4.144   0.800  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -3.189  -5.228   1.277  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -4.738  -4.287  -0.226  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -5.386  -3.159  -0.718  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.108  -1.898  -0.178  0.00  0.00    +0.006 A 
ENDBRANCH   6  21
BRANCH  18  28
ATOM     28  N   LIG    1        5.311   0.352  -1.331  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        5.706   0.973  -2.031  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.267  -1.067  -1.685  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.387  -1.378  -2.688  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.755  -1.389  -2.022  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        7.773  -2.304  -0.928  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        6.849  -1.920   0.091  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        5.424  -1.950  -0.441  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
TORSDOF 3