REMARK  Name = BDB023032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.291  -1.544   1.111  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.273  -2.456   0.012  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.733  -2.029  -0.070  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.005  -1.638   1.378  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.828  -0.897   1.766  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.200   1.229  -1.244  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1       -4.493   0.256  -0.757  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1       -3.103   0.327  -0.297  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -2.107   1.335  -0.223  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.963   0.765   0.307  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -1.222  -0.557   0.577  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -2.510  -0.814   0.200  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -3.165  -1.987   0.262  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -2.768  -2.855   0.609  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -4.463  -1.986  -0.188  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -5.123  -0.981  -0.668  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1       -5.407   3.425  -1.845  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1       -4.519   2.450  -1.312  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        0.178  -3.836   0.407  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.944  -4.274  -0.023  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        2.536  -3.104  -0.545  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        3.390  -2.736  -0.834  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        3.327  -0.876   1.612  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.454   0.456   0.899  0.00  0.00    -0.017 A 
ATOM     25  C   LIG    1        4.328   0.598  -0.190  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.446   1.825  -0.851  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        3.695   2.918  -0.426  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1        3.842   4.425  -1.242  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        2.830   2.797   0.657  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        2.712   1.572   1.318  0.00  0.00    +0.007 A 
ENDBRANCH  23  24
BRANCH  23  31
ATOM     31  O   LIG    1        3.537  -0.702   3.018  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        4.022   0.130   3.151  0.00  0.00    +0.210 HD
ENDBRANCH  23  31
ENDBRANCH   4  23
TORSDOF 7