REMARK  Name = BDB023099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.173  -1.187   1.272  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1        0.823  -1.967   0.011  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1       -0.698  -2.049   0.094  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -1.097  -0.844   0.967  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.118  -0.211   1.432  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1       -1.937   0.125   0.276  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1       -3.180  -0.193  -0.231  0.00  0.00    +0.151 A 
ATOM      8  C   LIG    1       -3.727   0.953  -0.794  0.00  0.00    +0.094 A 
ATOM      9  C   LIG    1       -4.995   0.831  -1.370  0.00  0.00    +0.131 A 
ATOM     10  N   LIG    1       -5.597  -0.376  -1.358  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1       -4.959  -1.407  -0.773  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1       -2.773   1.968  -0.597  0.00  0.00    +0.153 A 
ATOM     13  F   LIG    1       -2.898   3.240  -0.990  0.00  0.00    -0.203 F 
ATOM     14  N   LIG    1       -3.746  -1.413  -0.188  0.00  0.00    -0.217 NA
ATOM     15  C   LIG    1       -1.687   1.459   0.069  0.00  0.00    +0.129 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -5.676   1.879  -1.962  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1       -6.428   1.566  -2.562  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -5.117   2.661  -2.278  0.00  0.00    +0.144 HD
ENDBRANCH   9  16
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1        3.669  -1.605   1.225  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        2.582  -0.526   1.366  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.918   0.680   0.478  0.00  0.00    -0.012 A 
ATOM     22  C   LIG    1        4.125   1.380   0.710  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.500   2.492  -0.055  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        6.001   3.261   0.320  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        3.664   2.940  -1.075  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        4.046   4.301  -2.066  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        2.461   2.276  -1.315  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        2.093   1.164  -0.545  0.00  0.00    +0.008 A 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1        2.675  -0.022   2.719  0.00  0.00    -0.382 OA
ATOM     30  H   LIG    1        1.912   0.577   2.831  0.00  0.00    +0.211 HD
ENDBRANCH  20  29
ENDBRANCH   1  20
BRANCH   2  31
ATOM     31  O   LIG    1        1.412  -3.260  -0.037  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1        0.753  -3.868   0.363  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1       -1.067  -3.290   0.726  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -2.043  -3.340   0.679  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 7