REMARK  Name = BDB006590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.349   2.005   1.633  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.875   0.909   0.756  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        1.584   0.384   0.623  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1        0.196   0.484   1.113  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.473  -0.600   0.311  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.455  -1.239  -0.573  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.269  -2.141  -1.370  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.687  -0.594  -0.317  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        2.967  -0.641  -0.715  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1        3.730   0.279  -0.077  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.818  -0.949   0.462  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -2.438  -1.868  -0.305  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -3.777  -2.204  -0.154  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -4.338  -3.207  -1.048  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.598  -1.612   0.807  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -5.787  -1.887   0.954  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.920  -0.598   1.671  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -4.842   0.177   2.903  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.623  -0.308   1.494  0.00  0.00    +0.050 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.252   1.899   0.797  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.285   2.855   1.829  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.690   4.168   1.576  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.062   4.542   0.288  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.559   6.159  -0.022  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.034   3.615  -0.749  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.630   2.301  -0.498  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1        3.507  -1.556  -1.737  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1        4.841  -2.248  -1.574  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1        3.575  -3.050  -1.520  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3