REMARK  Name = BDB018547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.576  -6.019   2.173  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.946  -4.777   1.753  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        0.377  -4.536   2.101  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        1.091  -5.301   2.741  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.939  -3.242   1.640  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        0.195  -2.365   0.942  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -1.207  -2.679   0.621  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.699  -3.863   1.036  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.884  -1.135   0.510  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.093  -0.071   1.381  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1        1.682   1.097   1.029  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        2.102   1.229  -0.243  0.00  0.00    +0.119 A 
ATOM     13  C   LIG    1        1.925   0.222  -1.186  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        1.314  -0.973  -0.805  0.00  0.00    +0.013 A 
BRANCH  12  15
ATOM     15  N   LIG    1        2.678   2.454  -0.557  0.00  0.00    -0.329 N 
ATOM     16  H   LIG    1        2.671   2.972   0.321  0.00  0.00    +0.147 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.014   2.423  -1.137  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.038   2.088  -0.092  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        5.484   3.126   0.908  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.429   2.665  -0.166  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  21
ATOM     21  C   LIG    1       -2.032  -1.768  -0.115  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -2.295  -0.455   0.203  0.00  0.00    +0.123 A 
ATOM     23  N   LIG    1       -3.115   0.054  -0.780  0.00  0.00    -0.238 N 
ATOM     24  N   LIG    1       -3.361  -0.891  -1.734  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -2.729  -1.985  -1.311  0.00  0.00    +0.143 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -3.660   1.369  -0.933  0.00  0.00    +0.084 A 
ATOM     27  C   LIG    1       -3.766   2.313   0.111  0.00  0.00    +0.095 A 
ATOM     28  C   LIG    1       -4.270   3.598  -0.183  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -4.429   4.829   1.028  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -4.683   3.936  -1.476  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1       -4.614   2.995  -2.493  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.112   1.723  -2.224  0.00  0.00    +0.029 A 
BRANCH  27  33
ATOM     33  C   LIG    1       -3.481   2.003   1.482  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -3.265   1.737   2.592  0.00  0.00    -0.191 NA
ENDBRANCH  27  33
ENDBRANCH  23  26
ENDBRANCH   7  21
TORSDOF 7