REMARK  Name = BDB047813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.197  -0.846  -0.361  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.155   0.188  -0.210  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -2.499  -0.174  -0.088  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.887  -1.519  -0.110  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.945  -2.548  -0.257  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.593  -2.188  -0.383  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -0.704   1.521  -0.163  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.369   2.513  -1.034  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.501   3.309  -0.344  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -2.129   3.839   0.984  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -3.264   4.512   1.612  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -1.638   2.736   1.835  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -0.428   2.013   1.207  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   5  14
ATOM     14  C   LIG    1       -2.360  -3.963  -0.275  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -1.714  -4.919   0.518  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.142  -6.237   0.472  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.159  -6.670  -0.301  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -3.768  -5.743  -1.066  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -3.413  -4.402  -1.087  0.00  0.00    +0.028 A 
ENDBRANCH   5  14
BRANCH   1  21
ATOM     20  C   LIG    1        2.272  -1.190  -0.668  0.00  0.00    +0.250 C 
ATOM     21  N   LIG    1        1.142  -0.423  -0.512  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.221   0.591  -0.510  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1        2.344  -2.413  -0.703  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1        5.729   2.344   0.582  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        5.180   1.270  -0.315  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        3.990   0.576  -0.018  0.00  0.00    +0.059 A 
ATOM     27 CL   LIG    1        3.149   0.936   1.457  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.520  -0.421  -0.891  0.00  0.00    +0.056 A 
ATOM     29  C   LIG    1        4.253  -0.753  -2.041  0.00  0.00    +0.017 A 
ATOM     30  C   LIG    1        5.432  -0.075  -2.335  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.880   0.925  -1.478  0.00  0.00    +0.128 A 
ATOM     32  F   LIG    1        7.019   1.561  -1.788  0.00  0.00    -0.205 F 
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4