REMARK  Name = BDB021706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.083  -0.146  -0.620  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.789   0.973  -0.156  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.148   0.767  -0.042  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.417  -0.197   0.094  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.226   2.023   0.141  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.139   1.728   0.243  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -5.412   1.252   0.586  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -6.447   2.149   0.865  0.00  0.00    +0.078 A 
ATOM      9 CL   LIG    1       -8.001   1.539   1.287  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -6.216   3.519   0.797  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1       -7.197   4.395   1.059  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1       -4.960   4.003   0.449  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1       -3.924   3.108   0.168  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.114   0.513  -0.485  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.312   0.971   0.648  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.032   0.136   0.732  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.396  -0.107  -0.652  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.940   0.860  -1.708  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.470   0.797  -1.776  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.535   0.907  -0.465  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.768   2.404  -0.216  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.341   0.078   0.564  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.128  -2.202   1.301  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.251  -1.433   0.325  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.723  -1.177  -1.447  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.396  -2.271  -0.648  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.814  -2.799   0.514  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.452  -3.812   1.231  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.673  -4.318   0.791  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.255  -3.816  -0.371  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.618  -2.803  -1.090  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7