REMARK  Name = BDB063398
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.486  -0.101  -0.121  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1        0.453  -0.667  -1.185  0.00  0.00    +0.110 C 
ATOM      3  N   LIG    1        1.308  -1.202  -0.147  0.00  0.00    -0.325 N 
ATOM      4  C   LIG    1        0.381  -0.836   0.901  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.674  -0.882  -0.081  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1        3.066   0.561   0.083  0.00  0.00    +0.211 C 
ATOM      7  O   LIG    1        2.236   1.461   0.170  0.00  0.00    -0.285 OA
ATOM      8  C   LIG    1        4.490   0.908   0.140  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        5.466  -0.062   0.056  0.00  0.00    +0.123 A 
ATOM     10  N   LIG    1        6.798   0.218   0.106  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1        7.158   1.512   0.244  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        6.248   2.549   0.336  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        5.100  -1.487  -0.095  0.00  0.00    +0.225 C 
ATOM     14  O   LIG    1        5.960  -2.359  -0.163  0.00  0.00    -0.284 OA
ATOM     15  C   LIG    1        4.891   2.241   0.283  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.649  -1.806  -0.161  0.00  0.00    +0.114 C 
ATOM     17 CL   LIG    1        3.261  -3.492  -0.351  0.00  0.00    -0.077 Cl
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1       -1.943  -0.533  -0.236  0.00  0.00    +0.025 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.742  -0.030   0.963  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.064   0.258   0.136  0.00  0.00    +0.282 C 
ATOM     21  N   LIG    1       -4.127  -0.438   0.888  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -4.401  -1.334   1.277  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1       -4.790   1.291  -0.472  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1       -7.460   0.346  -0.723  0.00  0.00    +0.095 C 
ATOM     25  C   LIG    1       -6.464  -0.390   0.147  0.00  0.00    +0.320 C 
ATOM     26  F   LIG    1       -6.396  -1.690  -0.272  0.00  0.00    -0.196 F 
ATOM     27  F   LIG    1       -6.961  -0.453   1.419  0.00  0.00    -0.196 F 
ENDBRANCH  20  25
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5