REMARK  Name = BDB021784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.999  -0.956  -0.673  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.772   0.167  -0.366  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.130  -0.036  -0.456  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1        3.450  -0.994  -0.387  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.261   1.230  -0.029  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.157   0.926  -0.331  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        5.468   0.448  -0.218  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1        5.691  -0.876  -0.221  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1        6.552   1.311  -0.096  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.335   2.687  -0.093  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        5.035   3.195  -0.228  0.00  0.00    -0.049 A 
ATOM     12  C   LIG    1        4.792   4.676  -0.196  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.950   2.306  -0.338  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -2.779   0.653   0.635  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1       -1.932   1.146  -0.465  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.236   0.055  -1.283  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.457  -0.942  -0.412  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.810  -0.812   1.074  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.320  -0.616   1.206  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -4.235   0.771   0.386  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1       -5.097  -0.012   1.395  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.637   2.273   0.431  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.532   2.120  -1.278  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.101   2.594   0.101  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        1.505  -2.089  -1.455  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.722  -3.351  -0.649  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        1.638  -4.595  -1.295  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        1.867  -5.781  -0.595  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.193  -5.740   0.758  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.293  -4.514   1.411  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        2.064  -3.327   0.712  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7