REMARK  Name = BDB008574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096  -0.245  -0.587  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.087  -1.074  -1.882  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        3.684  -0.340   0.243  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1        3.721   0.507   1.362  0.00  0.00    +0.180 A 
ATOM      5  C   LIG    1        2.539   1.060   1.861  0.00  0.00    +0.086 A 
ATOM      6 CL   LIG    1        2.534   2.072   3.260  0.00  0.00    -0.080 Cl
ATOM      7  C   LIG    1        1.323   0.808   1.222  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        1.261  -0.014   0.081  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1        2.458  -0.580  -0.396  0.00  0.00    +0.055 A 
BRANCH   3  11
ATOM     10  C   LIG    1        4.850  -1.951  -1.078  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        4.884  -0.868  -0.159  0.00  0.00    -0.491 OA
ENDBRANCH   3  11
BRANCH   4  12
ATOM     12  O   LIG    1        4.907   0.729   2.022  0.00  0.00    -0.490 OA
ATOM     13  C   LIG    1        5.647   1.767   1.379  0.00  0.00    +0.277 C 
ENDBRANCH   4  12
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  N   LIG    1       -1.093  -0.807   0.371  0.00  0.00    -0.289 N 
ATOM     15  C   LIG    1       -2.282  -0.150   0.745  0.00  0.00    +0.246 C 
ATOM     16  O   LIG    1       -3.106  -0.654   1.517  0.00  0.00    -0.273 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.592   1.250   0.152  0.00  0.00    +0.217 C 
ATOM     18  O   LIG    1       -3.445   2.025   1.020  0.00  0.00    -0.365 OA
ATOM     19  C   LIG    1       -4.825   1.920   0.659  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1       -5.056   2.513  -0.743  0.00  0.00    +0.109 C 
ATOM     21  N   LIG    1       -3.962   2.262  -1.706  0.00  0.00    -0.311 NA
ATOM     22  H   LIG    1       -3.341   3.072  -1.665  0.00  0.00    +0.122 HD
ATOM     23  C   LIG    1       -3.194   1.084  -1.266  0.00  0.00    +0.122 C 
ENDBRANCH  15  17
BRANCH  14  24
ATOM     24  C   LIG    1       -0.738  -2.125   0.917  0.00  0.00    +0.077 C 
ATOM     25  C   LIG    1       -1.048  -2.567   2.320  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -1.733  -3.228   1.152  0.00  0.00    +0.024 C 
ENDBRANCH  14  24
ENDBRANCH   1  14
TORSDOF 6