REMARK  Name = BDB056168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.140   1.352  -1.118  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1        7.150  -2.569  -0.450  0.00  0.00    -0.272 OA
ATOM      3  C   LIG    1        6.370  -1.752   0.036  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1        5.258  -1.342  -0.644  0.00  0.00    -0.280 N 
ATOM      5  H   LIG    1        5.115  -1.733  -1.565  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        4.353  -0.439  -0.090  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        4.528   0.020   1.216  0.00  0.00    +0.142 A 
ATOM      8  C   LIG    1        3.602   0.902   1.768  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        2.510   1.333   1.012  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.325   0.877  -0.302  0.00  0.00    -0.031 A 
ATOM     11  O   LIG    1        5.551  -0.372   2.034  0.00  0.00    -0.481 OA
ATOM     12  C   LIG    1        3.259  -0.017  -0.849  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        6.595  -1.085   1.392  0.00  0.00    +0.325 C 
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  N   LIG    1       -0.157   1.058  -0.491  0.00  0.00    -0.294 NA
ATOM     15  C   LIG    1       -1.244   1.739  -1.208  0.00  0.00    +0.089 C 
ATOM     16  C   LIG    1       -2.579   1.575  -0.461  0.00  0.00    +0.051 C 
ATOM     17  C   LIG    1       -2.841   0.141  -0.067  0.00  0.00    -0.042 C 
ATOM     18  C   LIG    1       -1.829  -0.746  -0.065  0.00  0.00    -0.008 C 
ATOM     19  C   LIG    1       -0.412  -0.391  -0.431  0.00  0.00    +0.112 C 
BRANCH  17  20
ATOM     20  C   LIG    1       -4.215  -0.243   0.318  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -4.791  -1.433  -0.154  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -6.098  -1.786   0.197  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -6.842  -0.949   1.023  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -8.450  -1.382   1.456  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -6.292   0.238   1.498  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -4.985   0.590   1.144  0.00  0.00    +0.009 A 
ENDBRANCH  17  20
ENDBRANCH   1  14
TORSDOF 3