REMARK  Name = BDB021819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.700  -1.246   1.196  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.577  -0.172   1.015  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -0.997   1.018   0.651  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.003   1.027   0.584  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.788  -0.309   1.178  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.481  -0.214   0.384  0.00  0.00    -0.011 C 
ATOM      7  C   LIG    1        2.727  -1.124  -0.597  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        1.208  -1.029  -0.451  0.00  0.00    +0.023 C 
ATOM      9  C   LIG    1        0.769  -1.284   1.001  0.00  0.00    +0.078 C 
ATOM     10  C   LIG    1        1.539  -0.451   2.040  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1        3.051  -0.545   1.826  0.00  0.00    +0.005 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.331   1.297   0.099  0.00  0.00    +0.003 C 
BRANCH  12  14
ATOM     13  C   LIG    1        2.838   1.955  -2.317  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        3.904   1.752  -1.249  0.00  0.00    -0.003 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -1.624   2.250   0.366  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -3.005   2.456   0.386  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -3.555   3.715   0.080  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -2.698   4.777  -0.236  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -1.319   4.582  -0.259  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.788   3.326   0.039  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -5.051   3.912   0.125  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -5.741   2.900  -0.468  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -5.527   3.999   1.398  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -5.460   5.052  -0.501  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -1.320  -2.529   1.560  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.393  -3.489   0.392  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.261  -3.234  -0.680  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.326  -4.110  -1.764  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -1.526  -5.251  -1.788  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -0.662  -5.517  -0.727  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.596  -4.642   0.359  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7