REMARK  Name = BDB023065
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.310  -0.533  -1.960  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1       -0.799  -1.937  -1.567  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.191  -1.663  -1.016  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.642  -0.509  -1.901  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -1.470   0.337  -2.044  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        4.423   0.805   1.450  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.849   0.078   0.549  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1        2.484   0.337   0.122  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1        1.597   1.300   0.532  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1        0.512   1.081  -0.184  0.00  0.00    +0.203 A 
ATOM     11  N   LIG    1        0.655   0.012  -1.026  0.00  0.00    -0.286 N 
ATOM     12  C   LIG    1        1.921  -0.477  -0.849  0.00  0.00    +0.168 A 
ATOM     13  N   LIG    1        2.464  -1.545  -1.502  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        3.687  -1.744  -1.093  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        4.354  -1.005  -0.142  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1        5.304  -1.240   0.107  0.00  0.00    +0.168 HD
BRANCH   6  17
ATOM     17  O   LIG    1        5.733   0.342   1.676  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        7.737   0.677   2.932  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        6.326   1.168   2.680  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.927  -2.794  -2.719  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.018  -3.018  -2.998  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -3.029  -2.804  -1.107  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.704  -3.312  -1.881  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -3.870   0.328  -1.444  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -5.175  -0.462  -1.629  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.742   0.903  -0.029  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -4.101   0.152   1.107  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.973   0.674   2.402  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -4.436  -0.339   3.724  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -3.480   1.966   2.588  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -3.295   2.677   4.151  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -3.118   2.728   1.477  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -3.248   2.202   0.187  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
BRANCH  24  34
ATOM     34  O   LIG    1       -3.990   1.437  -2.366  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1       -3.084   1.628  -2.677  0.00  0.00    +0.211 HD
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 8