REMARK  Name = BDB017060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.246  -0.415   0.077  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.785  -0.719   0.943  0.00  0.00    -0.329 N 
ATOM      3  C   LIG    1        0.262  -0.873   2.195  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -1.034  -0.678   2.202  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.377  -0.393   0.890  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  10
ATOM      6  F   LIG    1        0.484   0.507  -5.380  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1        0.306   0.286  -4.071  0.00  0.00    +0.123 A 
ATOM      8  C   LIG    1        0.213   1.366  -3.201  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        0.025   1.136  -1.837  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.064  -0.175  -1.350  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        0.026  -1.252  -2.241  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        0.214  -1.020  -3.605  0.00  0.00    +0.039 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1       -2.759  -0.122   0.491  0.00  0.00    +0.092 A 
ATOM     14  N   LIG    1       -3.009   0.108  -0.820  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -4.284   0.355  -1.184  0.00  0.00    +0.112 A 
ATOM     16  C   LIG    1       -5.342   0.385  -0.296  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -5.083   0.147   1.055  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -3.767  -0.111   1.450  0.00  0.00    +0.041 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -6.160   0.167   2.033  0.00  0.00    +0.204 A 
ATOM     20  N   LIG    1       -7.452   0.403   1.742  0.00  0.00    -0.133 NA
ATOM     21  N   LIG    1       -7.992   0.307   2.966  0.00  0.00    -0.176 N 
ATOM     22  H   LIG    1       -8.986   0.431   3.132  0.00  0.00    +0.214 HD
ATOM     23  N   LIG    1       -7.144   0.036   3.963  0.00  0.00    -0.049 NA
ATOM     24  N   LIG    1       -5.960  -0.056   3.377  0.00  0.00    -0.108 NA
ENDBRANCH  17  19
ENDBRANCH   5  13
BRANCH   2  25
ATOM     25  C   LIG    1        2.195  -0.859   0.625  0.00  0.00    +0.128 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.932   0.479   0.674  0.00  0.00    +0.058 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.414   0.314   0.426  0.00  0.00    -0.027 A 
ATOM     28  C   LIG    1        4.963   0.218  -0.864  0.00  0.00    +0.044 A 
ATOM     29 CL   LIG    1        3.981   0.302  -2.282  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        6.339   0.047  -1.039  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.184  -0.034   0.067  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.654   0.055   1.351  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.280   0.226   1.530  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 6