REMARK  Name = BDB023041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.080  -1.816  -0.407  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.418  -2.854   0.515  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.905  -3.092  -0.185  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.257  -1.694  -0.686  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.007  -1.101  -1.081  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        3.850   3.223   1.727  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        3.079   2.521   0.952  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        2.887   1.068   0.996  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.421  -0.010   1.747  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.835  -1.177   1.291  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.922  -0.854   0.307  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.999   0.494   0.116  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.331   1.224  -0.791  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.669   0.805  -1.444  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.566   2.574  -0.798  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        2.359   3.227  -0.008  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        4.544   2.476   2.684  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        5.071   3.164   3.133  0.00  0.00    +0.328 HD
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1        1.154  -4.075   0.625  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1        0.764  -4.587   1.358  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -0.697  -3.970  -1.304  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1       -0.028  -4.627  -1.025  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -1.925  -0.810   0.399  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.415   0.525  -0.136  0.00  0.00    -0.015 A 
ATOM     25  C   LIG    1       -3.436   0.588  -1.101  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1       -3.879   1.821  -1.584  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1       -5.128   1.866  -2.767  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -3.310   2.998  -1.106  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1       -3.719   4.192  -1.558  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -2.304   2.956  -0.145  0.00  0.00    +0.040 A 
ATOM     31  C   LIG    1       -1.861   1.724   0.341  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -3.019  -1.500   1.000  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.630  -0.834   1.363  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7