REMARK  Name = BDB021776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.752   1.201  -0.395  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.704   0.262  -0.807  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.917   0.804  -1.168  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.139   1.702  -0.756  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.467  -0.943  -0.826  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.014   0.137  -1.755  0.00  0.00    +0.073 A 
ATOM      7  C   LIG    1       -5.236   0.829  -1.797  0.00  0.00    +0.147 A 
ATOM      8  F   LIG    1       -5.311   2.067  -1.281  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1       -6.377   0.270  -2.362  0.00  0.00    +0.081 A 
ATOM     10  C   LIG    1       -6.293  -1.004  -2.904  0.00  0.00    +0.161 A 
ATOM     11  F   LIG    1       -7.382  -1.554  -3.457  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -5.089  -1.702  -2.884  0.00  0.00    +0.160 A 
ATOM     13  F   LIG    1       -5.019  -2.927  -3.422  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -3.947  -1.139  -2.315  0.00  0.00    +0.067 A 
ENDBRANCH   3   6
BRANCH   1  18
ATOM     15  N   LIG    1        2.774  -0.764   0.966  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1        1.471  -1.306   1.353  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.432  -0.183   1.356  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        0.553   0.731   0.120  0.00  0.00    +0.080 C 
ATOM     19  C   LIG    1        1.424   0.103  -0.973  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        2.801  -0.291  -0.423  0.00  0.00    +0.086 C 
BRANCH  15  21
ATOM     21  C   LIG    1        3.917  -1.609   1.372  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        5.235  -0.843   1.182  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     23  C   LIG    1        3.951  -3.003   0.700  0.00  0.00    +0.018 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.952  -5.319   0.673  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        5.045  -3.919   1.261  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       -0.829   2.617  -0.778  0.00  0.00    +0.144 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.657   3.458   0.168  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -2.537   4.423  -0.347  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.302   5.218   0.509  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.188   5.068   1.889  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.307   4.125   2.414  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.542   3.329   1.559  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 7