REMARK  Name = BDB056190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513  -1.029  -0.121  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      2  C   LIG    1       -6.329   2.926   1.690  0.00  0.00    +0.062 C 
ATOM      3  C   LIG    1       -5.262   1.990   2.245  0.00  0.00    +0.256 C 
ATOM      4  C   LIG    1       -4.572   2.630   3.463  0.00  0.00    +0.258 C 
ATOM      5  O   LIG    1       -5.112   3.423   4.231  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -3.306   2.165   3.705  0.00  0.00    -0.280 N 
ATOM      7  H   LIG    1       -2.850   2.487   4.548  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.639   1.359   2.783  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -3.220   1.090   1.541  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -2.528   0.330   0.600  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -1.256  -0.185   0.897  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -0.689   0.085   2.152  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.374   0.862   3.090  0.00  0.00    +0.027 A 
ATOM     14  O   LIG    1       -4.433   1.594   1.155  0.00  0.00    -0.478 OA
ENDBRANCH   1  11
BRANCH   1  15
ATOM     15  N   LIG    1       -0.304  -0.333  -1.400  0.00  0.00    -0.294 NA
ATOM     16  C   LIG    1        0.064  -1.269  -2.476  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1        1.440  -1.935  -2.286  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        2.497  -0.949  -1.844  0.00  0.00    -0.042 C 
ATOM     19  C   LIG    1        2.136   0.271  -1.400  0.00  0.00    -0.008 C 
ATOM     20  C   LIG    1        0.706   0.732  -1.304  0.00  0.00    +0.112 C 
BRANCH  18  21
ATOM     21  C   LIG    1        3.914  -1.361  -1.915  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1        4.311  -2.639  -1.495  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.650  -3.036  -1.574  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.603  -2.158  -2.082  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        8.250  -2.647  -2.181  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        6.230  -0.889  -2.512  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.891  -0.494  -2.430  0.00  0.00    +0.009 A 
ENDBRANCH  18  21
ENDBRANCH   1  15
TORSDOF 3