REMARK  Name = BDB023097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.708   2.220  -0.239  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        1.425   1.630   0.975  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        0.425   1.863   2.096  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -0.929   1.765   1.381  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1       -0.717   2.093  -0.013  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -1.637   0.503   1.418  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1       -1.155  -0.754   1.655  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1       -2.249  -1.593   1.504  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -2.020  -2.970   1.664  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1       -0.766  -3.387   1.948  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        0.202  -2.459   2.082  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1       -3.382  -0.872   1.194  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1        0.103  -1.119   1.953  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1       -2.979   0.378   1.143  0.00  0.00    +0.203 A 
BRANCH   9  15
ATOM     15  N   LIG    1       -3.014  -3.930   1.514  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1       -2.622  -4.828   1.261  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -3.793  -3.599   0.954  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   1  19
ATOM     18  C   LIG    1        2.522   1.991  -2.006  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        1.081   1.615  -1.627  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.799   0.110  -1.728  0.00  0.00    -0.012 A 
ATOM     21  C   LIG    1       -0.506  -0.356  -1.989  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -0.801  -1.725  -2.051  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1       -2.437  -2.183  -2.367  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        0.212  -2.662  -1.851  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -0.072  -4.365  -1.895  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        1.512  -2.224  -1.598  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        1.801  -0.856  -1.537  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
BRANCH  19  28
ATOM     28  O   LIG    1        0.263   2.270  -2.622  0.00  0.00    -0.382 OA
ATOM     29  H   LIG    1       -0.564   2.527  -2.172  0.00  0.00    +0.211 HD
ENDBRANCH  19  28
ENDBRANCH   1  19
BRANCH   2  30
ATOM     30  O   LIG    1        2.671   2.271   1.243  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        2.470   3.208   1.434  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1        0.619   3.200   2.609  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        1.309   3.130   3.296  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 7