REMARK  Name = BDB021719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.059  -0.121  -0.093  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.932  -1.104  -0.587  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.246  -0.946  -0.208  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.527  -0.009   0.053  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.537  -2.021  -1.304  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.318  -1.837  -0.434  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -5.610  -1.355  -0.188  0.00  0.00    +0.146 A 
ATOM      8  F   LIG    1       -5.775  -0.092   0.235  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1       -6.736  -2.152  -0.368  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -6.579  -3.468  -0.798  0.00  0.00    +0.062 A 
ATOM     11 CL   LIG    1       -8.006  -4.419  -1.004  0.00  0.00    -0.082 Cl
ATOM     12  C   LIG    1       -5.294  -3.974  -1.040  0.00  0.00    +0.061 A 
ATOM     13 CL   LIG    1       -5.032  -5.602  -1.560  0.00  0.00    -0.082 Cl
ATOM     14  C   LIG    1       -4.168  -3.160  -0.855  0.00  0.00    +0.047 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        3.148  -0.222  -0.707  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        2.566  -1.401  -0.063  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        1.138  -1.174   0.448  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.365  -0.239  -0.487  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        1.093   1.111  -0.651  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.576   1.040  -0.265  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        4.604  -0.229  -0.910  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        4.921  -1.188  -2.072  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.505  -0.594   0.294  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        5.816   1.735   1.289  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.393   0.295   1.534  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       -1.378   0.651   1.116  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.243   1.872   0.879  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.995   2.389   1.946  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.799   3.517   1.771  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.855   4.149   0.531  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.104   3.656  -0.533  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.299   2.528  -0.360  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7