REMARK  Name = BDB060516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230   0.108   0.915  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.819   1.179  -0.017  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1       -1.230   1.515  -1.249  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.810   2.481  -2.077  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -2.987   3.114  -1.687  0.00  0.00    +0.041 A 
ATOM      6 CL   LIG    1       -3.700   4.300  -2.709  0.00  0.00    -0.084 Cl
ATOM      7  C   LIG    1       -3.592   2.789  -0.476  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.013   1.826   0.353  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  12
ATOM      9  C   LIG    1        3.104  -0.011   0.766  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        2.390  -1.103   0.282  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        0.993  -1.085   0.327  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        0.304   0.014   0.870  0.00  0.00    -0.034 A 
ATOM     13  C   LIG    1        1.060   1.093   1.376  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        2.455   1.080   1.331  0.00  0.00    +0.046 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.500  -0.025   0.766  0.00  0.00    -0.426 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.556   0.138  -0.356  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1        5.063   0.180  -0.488  0.00  0.00    +0.309 C 
ATOM     18  O   LIG    1        4.472   0.367  -1.543  0.00  0.00    -0.251 OA
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  C   LIG    1       -1.977  -1.228   0.830  0.00  0.00    +0.053 A 
ATOM     20  N   LIG    1       -2.282  -1.833   2.010  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1       -2.933  -3.015   1.964  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -3.306  -3.644   0.790  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.993  -3.023  -0.412  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -2.321  -1.804  -0.397  0.00  0.00    +0.024 A 
ENDBRANCH   1  19
TORSDOF 5