REMARK  Name = BDB040714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.830  -0.558   0.435  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        5.031   0.591   0.589  0.00  0.00    +0.048 A 
ATOM      3 CL   LIG    1        5.630   2.207   0.449  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        3.652   0.496   0.847  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.006  -0.736   0.943  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.780  -1.882   0.784  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        5.156  -1.800   0.527  0.00  0.00    +0.048 A 
ATOM      8 CL   LIG    1        5.968  -3.319   0.305  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        9.166   2.643  -1.795  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        8.652   1.667  -1.256  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        8.834   1.420   0.082  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        9.356   2.127   0.581  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        8.143   0.531   0.870  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        8.183   0.623   2.096  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        7.335  -0.544   0.158  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        7.684  -0.634  -1.333  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        7.733   0.729  -1.998  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  N   LIG    1        1.628  -0.817   1.213  0.00  0.00    -0.326 N 
ATOM     19  C   LIG    1        0.625   0.180   0.949  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1       -0.423  -0.924   1.193  0.00  0.00    +0.111 C 
ATOM     21  C   LIG    1        0.735  -1.898   0.903  0.00  0.00    +0.129 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -1.541  -0.980   0.236  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -1.774  -1.818  -0.278  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1       -2.392   0.064   0.033  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.308   1.154   0.577  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -3.337  -0.305  -0.863  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.313   0.698  -1.191  0.00  0.00    +0.237 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.460   0.634  -0.198  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -6.353  -0.644  -0.235  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -7.534   0.277  -0.069  0.00  0.00    -0.029 C 
ATOM     31  C   LIG    1       -8.199   0.388   1.286  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -9.526   0.601   0.513  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1       -8.852  -0.047  -0.725  0.00  0.00    +0.007 C 
ATOM     34  C   LIG    1       -6.731   1.458  -0.568  0.00  0.00    +0.013 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  20  22
ENDBRANCH   5  18
TORSDOF 6