REMARK  Name = BDB045370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.376  -0.912   0.727  0.00  0.00    +0.171 A 
ATOM      2  C   LIG    1       -3.746  -1.175   0.560  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -4.717  -0.084   0.605  0.00  0.00    +0.155 A 
ATOM      4  N   LIG    1       -5.935  -0.609   0.423  0.00  0.00    -0.047 NA
ATOM      5  O   LIG    1       -5.749  -1.969   0.264  0.00  0.00    -0.241 OA
ATOM      6  C   LIG    1       -4.292   1.244   0.817  0.00  0.00    +0.073 A 
ATOM      7 CL   LIG    1       -5.460   2.477   0.870  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1       -2.913   1.470   0.978  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.413  -2.317   0.347  0.00  0.00    -0.047 NA
ATOM     10  C   LIG    1       -1.955   0.418   0.927  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -1.437  -2.733   1.710  0.00  0.00    -0.126 OA
ATOM     12  N   LIG    1       -1.476  -2.020   0.701  0.00  0.00    +0.060 N 
ATOM     13  O   LIG    1       -0.765  -2.142  -0.305  0.00  0.00    -0.126 OA
ENDBRANCH   1  12
BRANCH  10  14
ATOM     14  S   LIG    1       -0.227   0.859   1.149  0.00  0.00    -0.046 S 
BRANCH  14  15
ATOM     15  C   LIG    1        0.189   1.087  -0.523  0.00  0.00    +0.219 A 
ATOM     16  N   LIG    1        1.450   0.963  -1.095  0.00  0.00    -0.187 N 
ATOM     17  N   LIG    1        1.357   1.484  -2.351  0.00  0.00    -0.038 NA
ATOM     18  N   LIG    1        0.084   1.790  -2.544  0.00  0.00    -0.022 NA
ATOM     19  N   LIG    1       -0.652   1.556  -1.421  0.00  0.00    -0.101 NA
BRANCH  16  20
ATOM     20  C   LIG    1        2.687   0.433  -0.634  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1        2.780  -0.410   0.480  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        4.023  -0.905   0.888  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        5.180  -0.574   0.188  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.098   0.245  -0.934  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        3.860   0.741  -1.349  0.00  0.00    +0.028 A 
ENDBRANCH  16  20
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 4