REMARK  Name = BDB047727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.256   0.878  -0.366  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        5.381  -0.674  -0.320  0.00  0.00    +0.175 C 
ATOM      3  N   LIG    1        4.088  -0.798   0.297  0.00  0.00    -0.247 N 
ATOM      4  C   LIG    1        2.893  -0.266  -0.103  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1        2.013  -0.720   0.871  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        0.656  -0.370   0.801  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        0.208   0.440  -0.263  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1        1.133   0.883  -1.226  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1        2.689  -1.476   1.790  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1        2.490   0.539  -1.171  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        3.965  -1.515   1.431  0.00  0.00    -0.065 NA
ENDBRANCH   1   7
BRANCH   1  12
ATOM     12  C   LIG    1       -2.215  -0.315  -0.316  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -2.380  -1.096  -1.475  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -3.232  -2.203  -1.482  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.927  -2.546  -0.327  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.978  -3.908  -0.331  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.773  -1.793   0.834  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.920  -0.685   0.842  0.00  0.00    +0.005 A 
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  C   LIG    1       -1.562   1.982   0.665  0.00  0.00    +0.133 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.881   3.280   0.299  0.00  0.00    +0.306 C 
ATOM     21  O   LIG    1       -0.736   3.688  -0.843  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -0.482   3.999   1.371  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -0.651   3.578   2.235  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5