REMARK  Name = BDB009682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.905  -0.657  -0.123  0.00  0.00    -0.283 N 
ATOM      2  C   LIG    1        0.009   0.496   0.030  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.450   0.174  -0.466  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.914  -1.270  -0.186  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.967  -2.141   0.656  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.014  -1.807   2.158  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.479  -1.950   0.175  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -1.257  -2.906   0.140  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.491   1.753  -0.696  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.673   2.947   0.022  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -1.116   4.104  -0.623  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.382   4.077  -1.990  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -1.932   5.500  -2.783  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.208   2.903  -2.719  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.764   1.746  -2.076  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.469   1.210   0.006  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        3.016   2.117  -0.918  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.929   3.088  -0.505  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.580   4.191  -1.655  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        4.314   3.173   0.829  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        3.779   2.281   1.757  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.862   1.309   1.349  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.380  -0.433  -0.084  0.00  0.00    +0.142 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.857  -0.662   1.370  0.00  0.00    +0.151 C 
ATOM     25  O   LIG    1       -2.252  -0.149   2.320  0.00  0.00    -0.296 OA
ATOM     26  C   LIG    1       -4.072  -1.512   1.629  0.00  0.00    +0.088 C 
ENDBRANCH  23  24
BRANCH  23  28
ATOM     27  C   LIG    1       -4.316  -0.430  -1.741  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -3.108  -1.194  -1.209  0.00  0.00    +0.027 C 
ENDBRANCH  23  28
ENDBRANCH   1  23
BRANCH   5  29
ATOM     29  C   LIG    1        1.304  -3.651   0.464  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1        2.695  -4.095   0.859  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1        3.581  -3.381   1.296  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        2.874  -5.424   0.672  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        2.084  -5.886   0.330  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 8