REMARK  Name = BDB049665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.894  -0.595  -0.499  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.567   0.623  -0.327  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.928   0.484  -0.150  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.212  -0.409   0.225  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.978   1.699  -0.320  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.895   1.508  -0.106  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -3.656   2.819  -0.532  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.677   3.772  -0.472  0.00  0.00    +0.078 A 
ATOM      9 CL   LIG    1       -4.369   5.381  -1.004  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -5.936   3.416   0.005  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -6.929   4.315   0.066  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -6.189   2.114   0.421  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -5.171   1.161   0.362  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.193   0.826  -0.442  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1        2.134   1.219  -1.380  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.184   0.083  -1.756  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.584  -0.605  -0.518  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.217  -0.108   0.792  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.737  -0.070   0.630  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.401   0.343  -1.121  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.627   0.208  -0.204  0.00  0.00    +0.015 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.300   1.372   1.279  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.045   1.534   0.435  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  C   LIG    1       -1.561  -1.741  -1.132  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.308  -2.629  -0.161  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.782  -2.951   1.098  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.488  -3.778   1.973  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.722  -4.303   1.595  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.249  -4.006   0.341  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.545  -3.179  -0.535  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7