REMARK  Name = BDB009746
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.463   0.954   0.135  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.420  -0.242   0.067  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.947   0.050  -0.082  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.246   1.527  -0.351  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.494   2.460   0.613  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.852   3.908   0.193  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.006   2.247   0.394  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.775   3.210   0.438  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.208  -1.218   1.232  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.158  -0.795   2.519  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.317  -1.715   3.559  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.112  -3.071   3.322  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.310  -4.203   4.602  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.246  -3.516   2.053  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.405  -2.595   1.015  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.618  -0.830  -1.136  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.252  -0.764  -2.491  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.876  -1.584  -3.432  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.410  -1.491  -5.086  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        3.871  -2.477  -3.044  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.245  -2.551  -1.703  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.624  -1.733  -0.756  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.838   0.863  -0.478  0.00  0.00    +0.105 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.638  -0.399  -0.064  0.00  0.00    +0.139 C 
ATOM     25  O   LIG    1       -2.383  -1.519  -0.934  0.00  0.00    -0.375 OA
ATOM     26  C   LIG    1       -3.599  -2.269  -1.073  0.00  0.00    +0.160 C 
ATOM     27  C   LIG    1       -4.606  -1.674  -0.113  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -4.152  -0.238  -0.018  0.00  0.00    +0.036 C 
ENDBRANCH  23  24
BRANCH  23  30
ATOM     29  C   LIG    1       -2.977   1.287  -2.776  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -1.684   1.073  -2.009  0.00  0.00    +0.022 C 
ENDBRANCH  23  30
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1        1.897   2.248   2.082  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1        1.047   3.012   3.064  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1        0.041   2.596   3.614  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        1.514   4.247   3.316  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.846   4.635   3.920  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 8