REMARK  Name = BDB040772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.999   0.805  -1.615  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.305   1.817  -0.872  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.012   1.318  -1.544  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -0.806   0.021  -1.798  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -6.502   1.670   0.137  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -5.599   0.678  -0.548  0.00  0.00    -0.043 A 
ATOM      7  C   LIG    1       -5.995  -0.606  -0.998  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -5.004  -1.391  -1.649  0.00  0.00    +0.047 A 
ATOM      9 CL   LIG    1       -5.324  -2.991  -2.249  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.696  -0.929  -1.847  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.307   0.329  -1.405  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.271   1.118  -0.773  0.00  0.00    +0.026 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -7.393  -1.213  -0.816  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -8.575  -0.257  -0.809  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -8.879   0.436  -1.779  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -9.305  -0.169   0.352  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1      -10.081   0.479   0.329  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -8.964  -0.635   1.596  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -9.592  -0.292   2.594  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -7.733  -1.501   1.677  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -7.476  -2.203   0.357  0.00  0.00    +0.027 C 
ENDBRANCH   7  13
ENDBRANCH   1  11
BRANCH   3  22
ATOM     22  N   LIG    1        1.153   1.201  -0.649  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        1.249   1.762   0.186  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        2.208   0.382  -0.917  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.301  -0.357  -1.884  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.139   0.516   0.058  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.317  -0.306  -0.124  0.00  0.00    +0.213 C 
ATOM     28  C   LIG    1        5.460  -0.038   0.865  0.00  0.00    +0.155 C 
ATOM     29  N   LIG    1        6.368   0.043  -0.276  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1        7.549  -0.644  -0.450  0.00  0.00    +0.305 C 
ATOM     31  N   LIG    1        8.421  -0.677   0.638  0.00  0.00    -0.285 N 
ATOM     32  C   LIG    1        9.614  -1.497   0.513  0.00  0.00    +0.134 C 
ATOM     33  O   LIG    1        7.816  -1.192  -1.520  0.00  0.00    -0.252 OA
ATOM     34  C   LIG    1        5.281   0.082  -1.255  0.00  0.00    +0.155 C 
BRANCH  31  35
ATOM     35  C   LIG    1        8.348   0.202   1.780  0.00  0.00    +0.077 C 
ATOM     36  C   LIG    1        9.525   1.048   2.205  0.00  0.00    +0.024 C 
ATOM     37  C   LIG    1        8.308   1.702   1.631  0.00  0.00    +0.024 C 
ENDBRANCH  31  35
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 6