REMARK  Name = BDB009596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.043   0.650  -0.549  0.00  0.00    +0.085 C 
ATOM      2  C   LIG    1        1.268   1.932  -0.319  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.852   3.008  -0.455  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.035   1.828   0.161  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.852   0.594   0.025  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.038  -0.713  -0.193  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.139  -0.434  -1.127  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.809   0.412   1.204  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.184   0.236   0.975  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.064   0.050   2.044  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.577   0.037   3.349  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -4.662  -0.193   4.664  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.217   0.207   3.595  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -1.336   0.393   2.528  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.884  -1.866  -0.726  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.538  -1.800  -1.967  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.314  -2.870  -2.414  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -3.115  -2.763  -3.934  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.449  -4.020  -1.642  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -1.800  -4.102  -0.412  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.023  -3.034   0.043  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.757   0.310   0.766  0.00  0.00    +0.110 C 
BRANCH  22  26
ATOM     23  C   LIG    1        6.507  -2.503  -0.391  0.00  0.00    +0.111 C 
ATOM     24  C   LIG    1        5.185  -2.176   0.167  0.00  0.00    +0.214 A 
ATOM     25  O   LIG    1        4.774  -0.873   0.080  0.00  0.00    -0.425 OA
ATOM     26  C   LIG    1        3.546  -0.936   0.680  0.00  0.00    +0.218 A 
ATOM     27  N   LIG    1        3.234  -2.147   1.088  0.00  0.00    -0.112 NA
ATOM     28  N   LIG    1        4.300  -2.954   0.753  0.00  0.00    -0.113 NA
ENDBRANCH  22  26
ENDBRANCH   1  22
BRANCH   4  29
ATOM     29  C   LIG    1       -0.747   3.096   0.385  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.594   3.475  -0.797  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -1.750   4.925  -1.183  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -0.979   3.992  -2.074  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 6