REMARK  Name = BDB009622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.060  -1.131  -0.588  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1       -0.718  -0.110   0.266  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -0.410   1.346  -0.197  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.023   1.567  -0.716  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.962   0.349  -0.661  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        2.508   0.122   0.761  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.205  -0.904  -1.127  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.753  -1.710  -1.883  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.243  -0.278   0.349  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.869  -0.384   1.603  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -4.257  -0.513   1.695  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.030  -0.536   0.537  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -6.739  -0.696   0.653  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -4.429  -0.430  -0.714  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.042  -0.299  -0.809  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.801   2.391   0.848  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.909   3.224   0.613  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.300   4.168   1.563  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -3.663   5.172   1.257  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.598   4.302   2.757  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.498   3.483   3.003  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.103   2.534   2.057  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  24
ATOM     23  C   LIG    1       -0.843  -3.110  -1.931  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -0.552  -2.535  -0.542  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        0.384  -3.447   0.259  0.00  0.00    +0.028 C 
ENDBRANCH   1  24
BRANCH   5  26
ATOM     26  C   LIG    1        3.147   0.651  -1.631  0.00  0.00    +0.093 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.351  -0.235  -1.476  0.00  0.00    +0.153 A 
ATOM     28  N   LIG    1        4.339  -1.500  -1.870  0.00  0.00    -0.275 N 
ATOM     29  H   LIG    1        3.527  -2.031  -2.163  0.00  0.00    +0.173 HD
ATOM     30  C   LIG    1        5.520  -2.027  -1.519  0.00  0.00    +0.440 A 
ATOM     31  O   LIG    1        5.851  -3.197  -1.622  0.00  0.00    -0.221 OA
ATOM     32  O   LIG    1        6.296  -1.026  -0.987  0.00  0.00    -0.296 OA
ATOM     33  N   LIG    1        5.470   0.144  -0.956  0.00  0.00    -0.059 NA
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5