REMARK  Name = BDB062554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.162   0.091   1.075  0.00  0.00    +0.176 A 
ATOM      2  O   LIG    1        0.927  -0.030   0.268  0.00  0.00    -0.452 OA
ATOM      3  C   LIG    1        2.043  -0.011   1.057  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1        1.661   0.122   2.378  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.245   0.188   2.389  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  15
ATOM      6  O   LIG    1       -1.412  -0.105  -1.806  0.00  0.00    -0.144 OA
ATOM      7  N   LIG    1       -2.011   0.019  -0.707  0.00  0.00    -0.039 N 
ATOM      8  N   LIG    1       -3.475   0.092  -0.633  0.00  0.00    -0.204 N 
ATOM      9  C   LIG    1       -3.823   0.227   0.718  0.00  0.00    +0.158 A 
ATOM     10  C   LIG    1       -5.209   0.317   1.017  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -6.110   0.270   0.015  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -5.705   0.129  -1.379  0.00  0.00    +0.020 A 
ATOM     13  N   LIG    1       -2.728   0.244   1.482  0.00  0.00    -0.203 NA
ATOM     14  C   LIG    1       -4.397   0.043  -1.673  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1       -1.630   0.115   0.588  0.00  0.00    +0.238 A 
ENDBRANCH   1  15
BRANCH   3  16
ATOM     16  C   LIG    1        3.324  -0.131   0.365  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1        4.530  -0.122   1.085  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        5.760  -0.236   0.427  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        5.797  -0.360  -0.959  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        7.309  -0.500  -1.766  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        4.615  -0.370  -1.693  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        3.387  -0.256  -1.033  0.00  0.00    +0.013 A 
ENDBRANCH   3  16
TORSDOF 2