REMARK  Name = BDB021959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.598  -0.634   0.199  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.440  -1.994  -0.109  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.803  -2.503   0.189  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1        1.558  -1.836   0.288  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.350  -2.644  -0.617  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.885  -0.003  -0.174  0.00  0.00    +0.081 C 
ATOM      7  C   LIG    1       -1.753   1.462  -0.618  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.131   2.089  -0.787  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -3.924   2.025   0.440  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1       -5.027   2.832   0.685  0.00  0.00    +0.212 C 
ATOM     11  O   LIG    1       -5.617   2.846   1.765  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -5.486   3.723  -0.443  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -3.478   1.107   1.486  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.960  -0.207   0.912  0.00  0.00    +0.041 C 
ENDBRANCH   1   6
BRANCH   3  15
ATOM     15  C   LIG    1        1.228  -3.847   0.107  0.00  0.00    +0.070 A 
ATOM     16  C   LIG    1        2.599  -4.094   0.257  0.00  0.00    +0.145 A 
ATOM     17  F   LIG    1        3.438  -3.065   0.458  0.00  0.00    -0.204 F 
ATOM     18  C   LIG    1        3.120  -5.384   0.204  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        2.261  -6.460   0.002  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        0.891  -6.235  -0.140  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.374  -4.934  -0.085  0.00  0.00    +0.026 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        0.248   0.044   1.189  0.00  0.00    +0.144 C 
BRANCH  22  26
ATOM     23  C   LIG    1        3.721   2.161  -0.323  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        2.894   1.466  -1.207  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        1.768   0.779  -0.745  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        1.445   0.774   0.618  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        2.284   1.474   1.500  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        3.411   2.162   1.035  0.00  0.00    +0.046 A 
BRANCH  23  30
ATOM     29  C   LIG    1        5.670   3.493  -0.046  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        4.785   2.788  -0.908  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5