REMARK  Name = BDB023068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.566  -2.462  -0.124  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.239  -2.208  -1.474  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        1.919  -0.865  -1.259  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        2.346  -0.973   0.208  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        1.220  -1.626   0.858  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1       -5.044  -0.242  -0.220  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1       -3.782  -0.062   0.019  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1       -2.876  -1.188  -0.153  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -3.057  -2.541  -0.523  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.809  -3.135  -0.514  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1       -0.868  -2.185  -0.152  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1       -1.530  -1.014   0.070  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1       -1.042   0.179   0.449  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1       -0.070   0.348   0.716  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.951   1.197   0.622  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1       -3.232   1.146   0.429  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1       -5.775   0.942  -0.008  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -7.938   1.948  -0.032  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1       -7.151   0.674  -0.260  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        2.237  -3.213  -1.736  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        2.949  -2.765  -2.238  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        3.000  -0.708  -2.172  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1        2.623  -0.396  -3.017  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.607   0.364   0.942  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.953   1.052   0.793  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        4.975   0.598  -0.050  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        6.196   1.279  -0.132  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        6.413   2.417   0.638  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        7.914   3.250   0.533  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.422   2.880   1.495  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.204   2.199   1.574  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        1.542   1.280   0.618  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.950   2.108   0.304  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 8