REMARK  Name = BDB040522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007   1.752  -1.375  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.370   1.516  -0.815  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.788   2.143   0.360  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.062   1.898   0.890  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.432   2.714   2.374  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.969   1.018   0.261  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.518   0.369  -0.909  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.472  -0.794  -1.768  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.242   0.617  -1.435  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.358   0.779   0.849  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.491   0.978  -0.156  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.484   1.859  -1.013  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        7.591   0.167  -0.005  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        8.340   0.320  -0.667  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.898  -0.637   1.062  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        9.008  -1.150   1.171  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.840  -0.774   2.129  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.447  -0.581   1.552  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.291  -0.356  -1.602  0.00  0.00    +0.233 C 
ATOM     20  N   LIG    1       -0.927   0.762  -0.880  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.411   0.909  -0.001  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -0.862  -0.590  -2.729  0.00  0.00    -0.274 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -1.371  -2.022   0.236  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -2.247  -1.316  -0.824  0.00  0.00    +0.093 C 
ATOM     25  C   LIG    1       -2.797  -2.382  -1.790  0.00  0.00    +0.037 C 
BRANCH  24  26
ATOM     26  N   LIG    1       -3.283  -0.493  -0.150  0.00  0.00    -0.281 NA
ATOM     27  C   LIG    1       -4.137  -1.181   0.840  0.00  0.00    +0.121 C 
ATOM     28  C   LIG    1       -5.393  -0.369   0.874  0.00  0.00    -0.029 A 
ATOM     29  C   LIG    1       -5.418   0.487  -0.226  0.00  0.00    -0.029 A 
ATOM     30  C   LIG    1       -6.490   1.332  -0.454  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -7.549   1.311   0.457  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.524   0.449   1.565  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.440  -0.405   1.779  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.180   0.280  -1.042  0.00  0.00    +0.121 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5