REMARK  Name = BDB023079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.474  -1.164   0.909  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        1.048  -2.634   1.060  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1       -0.470  -2.582   0.978  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -0.740  -1.246   1.668  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.293  -0.358   1.180  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -2.063  -0.706   1.364  0.00  0.00    -0.305 N 
ATOM      7  C   LIG    1       -2.393   0.365   0.591  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -3.757   0.494   0.516  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1       -4.314   1.574  -0.273  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1       -3.438   2.461  -0.896  0.00  0.00    -0.215 NA
ATOM     11  C   LIG    1       -2.165   2.251  -0.739  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1       -5.598   1.707  -0.390  0.00  0.00    -0.066 NA
ATOM     13  C   LIG    1       -4.305  -0.534   1.315  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -1.575   1.229  -0.032  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1       -0.567   1.209   0.105  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1       -3.244  -1.243   1.850  0.00  0.00    +0.091 A 
BRANCH  12  17
ATOM     17  O   LIG    1       -5.943   2.821  -1.197  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1       -5.080   3.211  -1.455  0.00  0.00    +0.328 HD
ENDBRANCH  12  17
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        1.103  -0.978  -1.624  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        2.110  -0.804  -0.475  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.740   0.598  -0.557  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        3.553   0.923  -1.666  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.147   2.184  -1.800  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        5.119   2.470  -3.200  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        3.942   3.154  -0.819  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        4.637   4.732  -0.909  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        3.148   2.852   0.288  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        2.556   1.590   0.418  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        3.168  -1.748  -0.714  0.00  0.00    -0.382 OA
ATOM     30  H   LIG    1        3.949  -1.458  -0.206  0.00  0.00    +0.211 HD
ENDBRANCH  20  29
ENDBRANCH   1  20
BRANCH   2  31
ATOM     31  O   LIG    1        1.410  -3.098   2.374  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1        0.832  -3.872   2.541  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1       -1.033  -3.724   1.625  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -1.977  -3.760   1.381  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 7