REMARK  Name = BDB009684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.839   0.085   1.209  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.273   0.455   0.298  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.638  -0.732  -0.634  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.718  -2.066   0.150  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.529  -1.981   1.689  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.764  -1.446   2.441  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.686  -1.083   1.987  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -1.473  -1.380   2.890  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.242   1.853  -0.314  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.563   2.954   0.507  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.588   4.256  -0.001  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.304   4.475  -1.344  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.332   6.074  -1.976  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        0.002   3.405  -2.180  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.023   2.102  -1.668  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        1.908  -0.558  -1.464  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.890  -0.910  -2.826  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.035  -0.768  -3.611  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.982  -1.192  -5.278  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.216  -0.286  -3.057  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.254   0.050  -1.705  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.110  -0.088  -0.913  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.260   0.543   1.067  0.00  0.00    +0.105 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.933   2.436   1.472  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.490   2.063   1.139  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.083  -0.211  -0.031  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1       -3.074   0.386  -1.429  0.00  0.00    +0.039 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -2.664  -1.577  -0.141  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1       -3.399  -2.073  -0.543  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1        0.184  -3.404   2.226  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        1.222  -4.459   1.946  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        2.415  -4.297   1.758  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.699  -5.700   1.957  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.468  -6.287   1.795  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9