REMARK  Name = BDB040568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.283  -1.307   1.867  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.138  -0.813   1.876  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.418   0.534   1.637  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.737   1.008   1.625  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -2.925   2.697   1.281  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.830   0.145   1.857  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.530  -1.218   2.066  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.760  -2.418   2.293  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -2.208  -1.687   2.076  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.277   0.638   1.869  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.513   1.818   2.808  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -4.955   1.931   3.898  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.461   2.733   2.417  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -6.615   3.505   3.053  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -7.361   2.623   1.388  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -8.267   3.438   1.247  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -7.228   1.406   0.506  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.788   0.919   0.451  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.112  -1.556   0.247  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        0.757  -1.445   0.510  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.091  -1.742  -0.189  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.929  -1.540   1.167  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1        2.485  -1.790  -1.233  0.00  0.00    +0.101 C 
ATOM     24  C   LIG    1        2.196  -3.271  -1.548  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        1.646  -0.907  -2.180  0.00  0.00    +0.029 C 
BRANCH  23  28
ATOM     26  C   LIG    1        5.602   0.195  -1.438  0.00  0.00    +0.070 A 
ATOM     27  N   LIG    1        4.314  -0.145  -1.213  0.00  0.00    -0.234 NA
ATOM     28  C   LIG    1        3.950  -1.423  -1.456  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1        4.783  -2.352  -1.970  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1        6.051  -1.966  -2.202  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        6.519  -0.699  -1.952  0.00  0.00    +0.045 A 
BRANCH  26  32
ATOM     32  C   LIG    1        6.014   1.609  -1.113  0.00  0.00    +0.214 C 
BRANCH  32  34
ATOM     33  C   LIG    1        5.330   2.832  -3.022  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        6.436   2.322  -2.282  0.00  0.00    -0.377 OA
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  23  28
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7