REMARK  Name = BDB054630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.165  -3.167  -0.446  0.00  0.00    +0.048 C 
ATOM      2  C   LIG    1       -0.334  -1.697  -0.286  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.513  -0.962  -0.224  0.00  0.00    +0.078 A 
ATOM      4  N   LIG    1       -1.133   0.369  -0.039  0.00  0.00    -0.230 N 
ATOM      5  N   LIG    1        0.212   0.490   0.056  0.00  0.00    -0.161 NA
ATOM      6  C   LIG    1        0.707  -0.746  -0.112  0.00  0.00    +0.151 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.939   1.548  -0.048  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.611   2.683   0.720  0.00  0.00    +0.068 A 
ATOM      9 CL   LIG    1       -0.330   2.745   1.885  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -2.408   3.835   0.643  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -3.521   3.865  -0.190  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -4.492   5.282  -0.274  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -3.856   2.753  -0.954  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -3.067   1.600  -0.887  0.00  0.00    +0.031 A 
ENDBRANCH   4   7
BRANCH   3  15
ATOM     15  C   LIG    1       -2.890  -1.462  -0.224  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.399  -2.128  -1.348  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.712  -2.607  -1.352  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.517  -2.427  -0.229  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -7.133  -3.014  -0.234  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.020  -1.778   0.899  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.707  -1.299   0.903  0.00  0.00    +0.011 A 
ENDBRANCH   3  15
BRANCH   6  22
ATOM     22  C   LIG    1        2.169  -0.980  -0.081  0.00  0.00    +0.269 C 
ATOM     23  N   LIG    1        2.859   0.184   0.199  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        2.249   0.988   0.338  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.653  -2.087  -0.284  0.00  0.00    -0.268 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.244   0.380   0.317  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.191  -0.634   0.149  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        6.556  -0.358   0.282  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        6.971   0.934   0.585  0.00  0.00    +0.117 A 
ATOM     30  C   LIG    1        6.043   1.952   0.755  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1        4.681   1.675   0.621  0.00  0.00    +0.027 A 
BRANCH  29  32
ATOM     32  O   LIG    1        8.290   1.244   0.724  0.00  0.00    -0.507 OA
ATOM     33  H   LIG    1        8.813   0.438   0.581  0.00  0.00    +0.292 HD
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH   6  22
TORSDOF 5