REMARK  Name = BDB054660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.053   0.067   0.213  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.255   0.836   0.188  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -2.328   0.044   0.038  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -1.856  -1.218  -0.031  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.484  -1.241   0.065  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.441   2.286   0.283  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.489   2.804   1.062  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.695   4.184   1.154  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -1.856   5.054   0.462  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -2.107   6.753   0.573  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -0.819   4.557  -0.324  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.615   3.176  -0.417  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   4  13
ATOM     13  C   LIG    1       -2.744  -2.321  -0.185  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -2.269  -3.639  -0.246  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.167  -4.700  -0.398  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.536  -4.456  -0.490  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.015  -3.150  -0.430  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.125  -2.084  -0.278  0.00  0.00    +0.028 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     19  O   LIG    1        1.566   1.557   1.012  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.322   0.520   0.409  0.00  0.00    +0.252 C 
ATOM     21  N   LIG    1        2.266  -0.318  -0.161  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        1.912  -1.087  -0.711  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.670  -0.185  -0.127  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        4.417  -1.129  -0.847  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        5.814  -1.073  -0.865  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        6.473  -0.071  -0.159  0.00  0.00    +0.018 A 
ATOM     27 BR   LIG    1        8.360   0.008  -0.180  0.00  0.00    -0.050 Br
ATOM     28  C   LIG    1        5.746   0.871   0.563  0.00  0.00    +0.017 A 
ATOM     29  C   LIG    1        4.347   0.812   0.579  0.00  0.00    +0.024 A 
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 4