REMARK  Name = BDB021699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.267   0.522   0.603  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.893  -0.689   0.280  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.268  -0.624   0.240  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.660   0.293   0.062  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.254  -1.711   0.044  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.177  -1.692   0.084  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -5.514  -1.363  -0.177  0.00  0.00    +0.164 A 
ATOM      8  F   LIG    1       -5.847  -0.062  -0.268  0.00  0.00    -0.202 F 
ATOM      9  C   LIG    1       -6.494  -2.346  -0.338  0.00  0.00    +0.096 A 
ATOM     10 CL   LIG    1       -8.120  -1.854  -0.658  0.00  0.00    -0.079 Cl
ATOM     11  C   LIG    1       -6.130  -3.690  -0.229  0.00  0.00    +0.062 A 
ATOM     12 CL   LIG    1       -7.268  -4.977  -0.409  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -4.801  -4.032   0.042  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.829  -3.038   0.202  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        3.000   0.105   0.332  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.387  -0.023   1.673  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.866  -0.210   1.687  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.210   0.604   0.574  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        0.818   0.272  -0.799  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.139  -0.498  -0.692  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.413  -0.376   0.322  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        5.247   0.416   1.349  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.073  -0.265  -1.081  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        6.858  -2.062  -0.737  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        6.559  -0.637  -1.177  0.00  0.00    -0.002 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   1  26
ATOM     26  C   LIG    1       -1.966   1.605   1.306  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.705   2.549   0.384  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.118   3.037  -0.791  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.815   3.915  -1.624  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.103   4.323  -1.287  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.694   3.859  -0.114  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.998   2.982   0.720  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7