REMARK  Name = BDB040579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   2.045   1.552  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.024   1.845   0.578  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        2.320   1.588   1.030  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.370   1.366   0.127  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        4.930   1.114   0.838  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.154   1.374  -1.268  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.839   1.642  -1.706  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        1.420   1.747  -3.384  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.794   1.864  -0.799  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.276   1.123  -2.274  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.057  -0.164  -2.016  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.532  -1.200  -1.614  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.393  -0.145  -2.340  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.892  -1.009  -2.178  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.066   0.806  -3.062  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.211   0.609  -3.460  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.295   2.053  -3.418  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.201   2.338  -2.401  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.622   0.702   2.928  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1       -0.693   0.779   1.910  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.772   0.078   1.175  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.879   1.668   3.644  0.00  0.00    -0.275 OA
BRANCH  19  23
ATOM     23  C   LIG    1       -2.307  -0.676   3.100  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -1.231  -1.760   3.328  0.00  0.00    +0.027 C 
ATOM     25  C   LIG    1       -3.176  -0.635   4.377  0.00  0.00    +0.027 C 
BRANCH  23  29
ATOM     26  C   LIG    1       -4.330  -1.516  -0.569  0.00  0.00    +0.089 A 
ATOM     27  N   LIG    1       -2.985  -1.492  -0.482  0.00  0.00    -0.152 NA
ATOM     28  N   LIG    1       -2.376  -1.234   0.720  0.00  0.00    -0.153 NA
ATOM     29  C   LIG    1       -3.104  -0.992   1.837  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -4.492  -1.000   1.766  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -5.113  -1.271   0.548  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1       -4.947  -1.808  -1.913  0.00  0.00    +0.216 C 
BRANCH  32  34
ATOM     33  C   LIG    1       -5.534  -4.107  -1.692  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1       -4.724  -3.148  -2.358  0.00  0.00    -0.377 OA
ENDBRANCH  32  34
ENDBRANCH  26  32
ENDBRANCH  23  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 7