REMARK  Name = BDB023728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.695  -1.009  -1.348  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.729  -1.894  -0.940  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -0.124  -2.113   0.376  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        0.277  -3.585   0.318  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        0.766  -3.752  -1.121  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.135  -2.803  -1.919  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -1.861  -0.802  -2.558  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.142  -1.269   0.560  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        1.678  -0.498  -0.440  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1        1.012   0.145  -0.851  0.00  0.00    +0.151 HD
ATOM     11  C   LIG    1        2.868   0.105   0.125  0.00  0.00    +0.227 C 
ATOM     12  C   LIG    1        4.105  -0.453  -0.585  0.00  0.00    +0.086 C 
ATOM     13  O   LIG    1        2.912  -0.383   1.486  0.00  0.00    -0.362 OA
ATOM     14  N   LIG    1        1.815  -1.283   1.676  0.00  0.00    -0.069 NA
BRANCH  11  15
ATOM     15  C   LIG    1        2.820   1.625   0.044  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.946   2.423   1.195  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        2.957   3.818   1.106  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        2.829   4.434  -0.135  0.00  0.00    +0.018 A 
ATOM     19 BR   LIG    1        2.828   6.320  -0.252  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1        2.689   3.669  -1.289  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        2.688   2.274  -1.200  0.00  0.00    +0.010 A 
ENDBRANCH  11  15
ENDBRANCH   3   8
BRANCH   5  22
ATOM     22  O   LIG    1        0.624  -5.099  -1.543  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1        1.179  -5.648  -0.961  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.617  -0.288  -0.358  0.00  0.00    +0.146 C 
BRANCH  24  29
ATOM     25  C   LIG    1       -0.676   4.158   1.223  0.00  0.00    +0.069 C 
ATOM     26  C   LIG    1       -1.037   2.739   1.013  0.00  0.00    +0.081 A 
ATOM     27  N   LIG    1       -0.710   1.806   1.914  0.00  0.00    -0.083 NA
ATOM     28  O   LIG    1       -1.255   0.625   1.451  0.00  0.00    -0.359 OA
ATOM     29  C   LIG    1       -1.891   0.850   0.272  0.00  0.00    +0.150 A 
ATOM     30  C   LIG    1       -1.761   2.177  -0.061  0.00  0.00    +0.071 A 
ENDBRANCH  24  29
BRANCH  24  31
ATOM     31  C   LIG    1       -3.417  -1.183   0.621  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -4.058  -2.377  -0.097  0.00  0.00    +0.008 C 
ATOM     33  C   LIG    1       -4.526  -0.380   1.321  0.00  0.00    +0.008 C 
ENDBRANCH  24  31
ENDBRANCH   1  24
TORSDOF 6