REMARK  Name = BDB014340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.638  -4.147  -1.298  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.109  -2.779  -1.072  0.00  0.00    -0.007 A 
ATOM      3  C   LIG    1       -2.673  -1.781  -0.238  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -1.889  -0.626  -0.314  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.297   0.504   0.401  0.00  0.00    +0.101 A 
ATOM      6  N   LIG    1       -3.403   0.411   1.171  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -4.077  -0.751   1.189  0.00  0.00    +0.240 A 
ATOM      8  N   LIG    1       -0.821  -0.944  -1.133  0.00  0.00    -0.343 N 
ATOM      9  N   LIG    1       -3.791  -1.882   0.513  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1       -0.980  -2.221  -1.629  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.662   1.810   0.381  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -1.774   2.670  -0.721  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1       -1.155   3.916  -0.691  0.00  0.00    +0.060 A 
ATOM     14 CL   LIG    1       -1.261   4.972  -2.039  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -0.446   4.277   0.443  0.00  0.00    +0.130 A 
ATOM     16  N   LIG    1       -0.323   3.485   1.534  0.00  0.00    -0.261 NA
ATOM     17  C   LIG    1       -0.951   2.284   1.484  0.00  0.00    +0.120 A 
ENDBRANCH   5  11
BRANCH   7  18
ATOM     18  C   LIG    1       -5.311  -0.835   2.050  0.00  0.00    +0.374 C 
ATOM     19  O   LIG    1       -5.761   0.056   2.750  0.00  0.00    -0.242 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -5.885  -2.068   1.955  0.00  0.00    -0.475 OA
ATOM     21  H   LIG    1       -5.362  -2.631   1.339  0.00  0.00    +0.296 HD
ENDBRANCH  18  20
ENDBRANCH   7  18
BRANCH   8  22
ATOM     22  C   LIG    1        0.338  -0.133  -1.484  0.00  0.00    +0.125 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.665  -0.637  -0.880  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1        1.736  -0.454   0.650  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        2.481   0.818   1.048  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        3.936   0.822   0.546  0.00  0.00    -0.014 C 
ATOM     27  C   LIG    1        4.900   0.313   1.618  0.00  0.00    +0.007 C 
ATOM     28  C   LIG    1        4.111   0.015  -0.752  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1        2.845   0.048  -1.600  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5