REMARK  Name = BDB052667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.312  -1.716   2.035  0.00  0.00    -0.022 A 
ATOM      2  C   LIG    1       -0.807  -2.446   0.909  0.00  0.00    +0.003 A 
ATOM      3  C   LIG    1       -1.767  -1.649   0.276  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.438  -2.078  -0.881  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -2.124  -3.336  -1.402  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.176  -4.146  -0.788  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.869  -0.482   1.008  0.00  0.00    -0.342 N 
ATOM      8  C   LIG    1       -0.514  -3.715   0.365  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -1.000  -0.520   2.068  0.00  0.00    +0.090 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        0.756  -2.138   2.996  0.00  0.00    +0.046 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.151  -2.178   2.381  0.00  0.00    +0.101 C 
BRANCH  11  13
ATOM     12  O   LIG    1        3.311  -0.132   2.792  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        2.647  -0.795   2.001  0.00  0.00    +0.218 C 
ATOM     14  N   LIG    1        2.262  -0.417   0.728  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1        1.621  -1.040   0.246  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.588   0.774   0.048  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.421   1.761   0.564  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        3.670   2.884  -0.209  0.00  0.00    +0.112 A 
ATOM     19  N   LIG    1        3.155   3.082  -1.441  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        2.358   2.107  -1.924  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1        2.045   0.953  -1.225  0.00  0.00    +0.043 A 
ENDBRANCH  14  16
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   7  22
ATOM     22  C   LIG    1       -2.806   0.608   0.761  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.283   1.593  -0.257  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -1.222   2.457   0.059  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -0.751   3.378  -0.879  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -1.333   3.440  -2.142  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -0.745   4.562  -3.305  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -2.388   2.592  -2.472  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -2.863   1.674  -1.532  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6