REMARK  Name = BDB055055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.871   2.633  -0.684  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.547   2.287  -1.086  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.284   3.183  -1.504  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.999   0.993  -0.844  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.083  -0.163  -0.702  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.371   0.191  -0.279  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.827   1.479  -0.966  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.644  -1.211   0.262  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.990  -0.872   1.581  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.469  -1.843   2.463  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.603  -3.161   2.034  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.196  -4.356   3.120  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.262  -3.517   0.732  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.783  -2.546  -0.151  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.348  -0.954  -0.540  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.891  -1.661   0.546  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.765  -2.727   0.333  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.412  -3.583   1.678  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.113  -3.107  -0.960  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.581  -2.416  -2.048  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.703  -1.350  -1.840  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.853   3.145   0.763  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        3.046   4.117   0.407  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        2.008   4.075   1.047  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.802   4.850   2.136  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        0.930   4.731   2.558  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.364   0.705  -1.307  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.381   1.131  -0.288  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -4.839   0.824  -0.530  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.103   0.126   0.575  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7