REMARK  Name = BDB009619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.879  -0.969  -0.370  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.599   0.394   0.154  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.702   1.030  -0.434  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.839   0.045  -0.756  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.586  -1.423  -0.395  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        1.756  -1.691   1.114  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.156  -1.810  -0.790  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.068  -2.872  -1.374  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.736   1.404  -0.057  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.241   2.126   1.040  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.241   3.086   0.865  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.737   3.345  -0.409  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.967   4.527  -0.625  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.237   2.657  -1.511  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.236   1.698  -1.337  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        1.212   2.199   0.411  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.696   2.013   1.716  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.138   3.102   2.468  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.721   2.849   4.068  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.107   4.389   1.939  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.630   4.588   0.645  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        1.186   3.502  -0.113  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.207  -1.641  -0.200  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.742  -2.747  -1.927  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -3.099  -1.451  -1.445  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.906  -1.325   1.140  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -4.004  -2.315   1.510  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        2.560  -2.348  -1.190  0.00  0.00    +0.093 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.005  -2.095  -0.938  0.00  0.00    +0.142 A 
ATOM     30  O   LIG    1        4.598  -1.130  -1.702  0.00  0.00    -0.356 OA
ATOM     31  N   LIG    1        5.938  -1.017  -1.340  0.00  0.00    -0.040 NA
ATOM     32  C   LIG    1        6.094  -1.930  -0.390  0.00  0.00    +0.252 A 
ATOM     33  C   LIG    1        4.937  -2.644  -0.088  0.00  0.00    +0.114 A 
BRANCH  32  34
ATOM     34  O   LIG    1        7.312  -2.041   0.139  0.00  0.00    -0.490 OA
ATOM     35  H   LIG    1        7.861  -1.385  -0.324  0.00  0.00    +0.294 HD
ENDBRANCH  32  34
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8