REMARK  Name = BDB060565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.312  -1.110  -0.065  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -0.447  -1.768  -0.957  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -0.544  -3.142  -1.192  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.491  -3.894  -0.502  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.340  -3.270   0.411  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.253  -1.890   0.628  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.167   0.388   0.102  0.00  0.00    +0.162 C 
BRANCH   7  10
ATOM      8  C   LIG    1       -0.802   0.602   3.150  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.948   1.146   2.382  0.00  0.00    +0.036 A 
ATOM     10  N   LIG    1       -2.122   1.005   1.017  0.00  0.00    -0.323 N 
ATOM     11  C   LIG    1       -3.291   1.662   0.667  0.00  0.00    +0.141 A 
ATOM     12  N   LIG    1       -3.841   2.201   1.741  0.00  0.00    -0.236 NA
ATOM     13  C   LIG    1       -3.037   1.877   2.797  0.00  0.00    +0.134 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.826   1.815  -0.689  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -4.084   0.714  -1.516  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.593   0.898  -2.806  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -4.859   2.185  -3.270  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.481   2.411  -4.859  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -4.633   3.288  -2.451  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -4.126   3.102  -1.162  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  O   LIG    1        0.475  -1.020  -1.647  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.808  -1.319  -1.206  0.00  0.00    +0.229 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.704  -0.161  -1.637  0.00  0.00    +0.041 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.175  -0.333  -1.247  0.00  0.00    +0.007 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.462  -0.490   0.261  0.00  0.00    -0.003 C 
ATOM     26  C   LIG    1        5.965  -0.729   0.461  0.00  0.00    +0.008 C 
BRANCH  25  27
ATOM     27  C   LIG    1        3.999   0.731   1.071  0.00  0.00    +0.123 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.027   0.466   2.552  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        4.887   0.828   3.336  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.970  -0.257   2.970  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        3.126  -0.358   3.934  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 11