REMARK  Name = BDB006585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.520   2.520   0.751  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -2.672   2.344  -0.446  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -1.474   1.713  -0.658  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.398   0.947   0.003  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.566   0.713  -1.124  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        0.085   1.277  -2.349  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1        0.597   1.282  -3.456  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.181   1.889  -2.004  0.00  0.00    +0.153 A 
ATOM      9  N   LIG    1       -2.113   2.576  -2.658  0.00  0.00    -0.169 NA
ATOM     10  N   LIG    1       -3.022   2.836  -1.688  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1       -3.856   3.357  -1.943  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.795   0.070  -0.938  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        2.228  -0.323   0.279  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.443  -0.962   0.484  0.00  0.00    -0.315 N 
ATOM     15  C   LIG    1        3.803  -1.344   1.842  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        4.326  -1.250  -0.559  0.00  0.00    +0.270 A 
ATOM     17  O   LIG    1        5.409  -1.807  -0.398  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1        3.856  -0.828  -1.914  0.00  0.00    +0.107 A 
ATOM     19 CL   LIG    1        4.869  -1.161  -3.268  0.00  0.00    -0.078 Cl
ATOM     20  C   LIG    1        2.672  -0.216  -2.064  0.00  0.00    +0.050 A 
ENDBRANCH   5  12
BRANCH   4  21
ATOM     21  C   LIG    1       -1.063  -0.301   0.557  0.00  0.00    -0.022 A 
ATOM     22  C   LIG    1       -1.387  -1.407  -0.251  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.000  -2.537   0.296  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.300  -2.574   1.655  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -3.057  -3.964   2.328  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -1.994  -1.489   2.472  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.381  -0.358   1.927  0.00  0.00    +0.007 A 
ENDBRANCH   4  21
TORSDOF 2