REMARK  Name = BDB050595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.821   0.816   0.051  0.00  0.00    +0.153 C 
ATOM      2  C   LIG    1       -0.521  -0.022   0.142  0.00  0.00    +0.125 C 
ATOM      3  N   LIG    1        0.562   0.668   0.879  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1        0.738   2.049   0.752  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        1.722   2.642   1.187  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -0.316   2.836   0.057  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -0.066   4.189  -0.217  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.032   4.976  -0.840  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.258   4.418  -1.184  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.517   3.074  -0.909  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -1.542   2.261  -0.303  0.00  0.00    -0.019 A 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.868  -1.384   0.754  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1       -1.203  -1.511   2.115  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -1.546  -2.756   2.648  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.566  -3.880   1.825  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -1.989  -5.412   2.484  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -1.247  -3.771   0.474  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.901  -2.528  -0.060  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   1  20
ATOM     19  O   LIG    1       -2.457  -0.005  -2.149  0.00  0.00    -0.250 OA
ATOM     20  C   LIG    1       -2.727   0.131  -0.963  0.00  0.00    +0.314 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.890  -0.331  -0.447  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -4.003  -0.217   0.516  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH   1  20
BRANCH   3  23
ATOM     23  C   LIG    1        1.755  -0.094   1.286  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.540  -0.658   0.120  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.632  -2.046  -0.070  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        3.348  -2.569  -1.149  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.983  -1.708  -2.042  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        4.865  -2.354  -3.371  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        3.912  -0.330  -1.861  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        3.196   0.193  -0.782  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5