REMARK  Name = BDB006864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.024  -1.297   0.436  0.00  0.00    +0.181 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.643  -0.493  -0.716  0.00  0.00    +0.234 C 
ATOM      3  N   LIG    1       -1.901   0.064  -0.540  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -2.879  -0.071   0.466  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.964   0.774   0.184  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -5.077   0.838   1.019  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -5.109   0.029   2.151  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -4.036  -0.824   2.427  0.00  0.00    +0.043 A 
ATOM      9 CL   LIG    1       -4.097  -1.827   3.827  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -3.732   1.581  -1.073  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -4.880   1.451  -2.077  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -3.484   3.055  -0.728  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -2.916  -0.882   1.589  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -2.446   0.917  -1.610  0.00  0.00    +0.124 C 
ATOM     15  O   LIG    1       -0.041  -0.310  -1.781  0.00  0.00    -0.274 OA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     16  C   LIG    1        2.341  -0.466   0.133  0.00  0.00    +0.088 C 
ATOM     17  N   LIG    1        1.416  -1.620   0.318  0.00  0.00    -0.287 NA
ATOM     18  C   LIG    1        1.665  -2.673  -0.685  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1        3.148  -3.126  -0.711  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        3.368  -4.173  -1.801  0.00  0.00    +0.025 C 
ATOM     21  N   LIG    1        4.064  -1.994  -0.946  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1        3.840  -1.587  -1.855  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1        3.821  -0.964   0.084  0.00  0.00    +0.101 C 
BRANCH  16  24
ATOM     24  C   LIG    1        2.197   0.622   1.231  0.00  0.00    +0.124 C 
BRANCH  24  27
ATOM     25  C   LIG    1        4.745   3.440   1.115  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        4.118   2.152   1.576  0.00  0.00    +0.210 C 
ATOM     27  N   LIG    1        2.943   1.837   0.936  0.00  0.00    -0.314 N 
ATOM     28  H   LIG    1        2.596   2.442   0.203  0.00  0.00    +0.149 HD
ATOM     29  O   LIG    1        4.637   1.448   2.435  0.00  0.00    -0.276 OA
ENDBRANCH  24  27
ENDBRANCH  16  24
ENDBRANCH   1  17
TORSDOF 4