REMARK  Name = BDB023045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.048   1.635  -0.922  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.510   0.968  -2.190  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -1.927   0.600  -1.775  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.266   1.768  -0.861  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -1.077   1.972  -0.063  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.788  -1.585   0.886  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.261  -0.717   0.080  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        2.868  -0.346   0.274  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        1.866  -0.731   1.196  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.717  -0.034   0.868  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        0.986   0.771  -0.218  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.290   0.570  -0.572  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        2.982   1.125  -1.584  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        2.613   1.813  -2.232  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        4.298   0.735  -1.712  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.940  -0.115  -0.972  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        6.656  -2.775   1.480  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        6.134  -1.831   0.557  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.536   1.911  -3.275  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -1.353   1.724  -3.784  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.792   0.500  -2.897  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -2.648  -0.376  -3.304  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -3.530   1.621   0.007  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.620   0.356   0.837  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -4.347  -0.746   0.352  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1       -4.432  -1.933   1.090  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1       -5.334  -3.237   0.405  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -3.792  -2.031   2.328  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1       -3.847  -3.465   3.290  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -3.072  -0.942   2.822  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -2.988   0.242   2.083  0.00  0.00    +0.008 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -3.639   2.752   0.880  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -2.727   3.044   1.068  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7