REMARK  Name = BDB023062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.172   0.807   1.933  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.636   1.921   0.999  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.140   1.728   1.073  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.308   0.206   1.185  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -1.053  -0.310   1.719  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.135  -1.133  -0.153  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.854  -1.005  -0.307  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.088  -0.370   0.756  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.420   0.176   2.018  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.246   0.645   2.582  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.207   0.399   1.703  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        1.732  -0.212   0.605  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.101  -0.627  -0.506  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.089  -0.568  -0.641  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        1.875  -1.234  -1.467  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        3.156  -1.432  -1.431  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        5.720  -1.761  -1.269  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        7.821  -0.582  -1.435  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        7.124  -1.876  -1.057  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.279   3.237   1.430  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        0.691   3.312   1.343  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.621   2.352   2.278  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.170   3.222   2.313  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.634  -0.520  -0.156  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -2.579  -2.050   0.035  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.998  -0.084  -0.704  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -4.105   0.796  -1.798  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -5.354   1.199  -2.282  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -6.516   0.736  -1.674  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       -8.051   1.231  -2.269  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1       -6.439  -0.122  -0.582  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -5.190  -0.524  -0.098  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
BRANCH  24  33
ATOM     33  O   LIG    1       -1.595  -0.232  -1.118  0.00  0.00    -0.382 OA
ATOM     34  H   LIG    1       -1.887  -0.646  -1.954  0.00  0.00    +0.211 HD
ENDBRANCH  24  33
ENDBRANCH   4  24
TORSDOF 8