REMARK  Name = BDB019550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.555   0.591  -0.862  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.494   0.868   0.012  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        0.204  -0.167   0.646  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.174  -1.498   0.428  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.238  -1.802  -0.437  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.916  -0.750  -1.075  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.750   4.415  -0.480  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.840   3.572  -1.325  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -3.122   2.512  -0.752  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.284   1.683  -1.525  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.189   1.946  -2.904  0.00  0.00    +0.049 A 
ATOM     12 CL   LIG    1       -1.171   1.009  -3.946  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -2.913   2.991  -3.485  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -3.740   3.796  -2.701  0.00  0.00    +0.005 A 
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        1.318   0.198   1.565  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1        2.332  -0.728   1.694  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.389  -1.487   1.031  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        1.316   1.285   2.130  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.523  -0.431   2.457  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.627   0.062   1.556  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.597  -0.822   1.060  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.604  -0.364   0.202  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        7.760  -1.519  -0.362  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.646   0.983  -0.172  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.857   1.615  -1.229  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.678   1.866   0.312  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.673   1.408   1.167  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -1.655  -3.232  -0.682  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.206  -3.846   0.513  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -3.420  -3.562   1.072  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -3.650  -4.314   2.124  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -2.545  -5.116   2.245  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -1.635  -4.847   1.249  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6