REMARK  Name = BDB030600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.943  -1.483  -0.609  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -1.664  -1.556  -0.059  0.00  0.00    +0.203 A 
ATOM      3  F   LIG    1       -1.475  -1.660   1.269  0.00  0.00    -0.198 F 
ATOM      4  C   LIG    1       -0.564  -1.528  -0.913  0.00  0.00    +0.159 A 
ATOM      5  N   LIG    1       -0.718  -1.468  -2.248  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1       -1.979  -1.432  -2.696  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -3.093  -1.435  -1.950  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -4.098  -1.494   0.190  0.00  0.00    -0.309 N 
ATOM      9  C   LIG    1       -5.337  -1.774  -0.531  0.00  0.00    +0.131 C 
BRANCH   8  11
ATOM     10  C   LIG    1       -4.571  -1.343   2.592  0.00  0.00    +0.033 C 
ATOM     11  C   LIG    1       -4.153  -0.563   1.341  0.00  0.00    +0.103 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.882   0.740   1.000  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1       -6.214   1.073   1.297  0.00  0.00    +0.046 A 
ATOM     14 CL   LIG    1       -7.324   0.025   2.102  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -6.742   2.319   0.918  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.966   3.250   0.232  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.653   2.940  -0.087  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.122   1.704   0.290  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  N   LIG    1        0.727  -1.651  -0.368  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        0.814  -1.097   0.490  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.836  -1.432  -1.288  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.150  -1.290  -0.495  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        3.179   0.048   0.272  0.00  0.00    +0.133 C 
ATOM     24  C   LIG    1        4.616   0.372   0.717  0.00  0.00    +0.116 C 
ATOM     25  N   LIG    1        5.589   0.480  -0.388  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        5.097  -0.102  -1.646  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1        4.379  -1.432  -1.414  0.00  0.00    +0.023 C 
BRANCH  23  28
ATOM     28  O   LIG    1        2.299  -0.026   1.397  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1        2.402   0.795   1.909  0.00  0.00    +0.210 HD
ENDBRANCH  23  28
BRANCH  25  30
ATOM     30  C   LIG    1        6.013   1.885  -0.617  0.00  0.00    +0.180 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.907   2.378   0.524  0.00  0.00    +0.225 C 
ATOM     32  O   LIG    1        6.871   3.519   0.970  0.00  0.00    -0.275 OA
ATOM     33  N   LIG    1        7.803   1.455   0.989  0.00  0.00    -0.328 N 
ATOM     34  H   LIG    1        7.596   0.479   0.803  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1        8.325   1.693   1.821  0.00  0.00    +0.145 HD
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 9