REMARK  Name = BDB021384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.030  -2.327  -1.246  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.163  -1.927  -0.582  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.754  -1.022   0.290  0.00  0.00    +0.152 A 
ATOM      4  N   LIG    1        0.396  -0.793   0.174  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.289   0.141   0.972  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.350   0.796   1.902  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.704   0.564   2.037  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        2.449  -0.279   1.289  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -0.078  -1.651  -0.790  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.837  -0.398   1.593  0.00  0.00    +0.074 A 
ATOM     11  N   LIG    1        4.820  -0.292   0.627  0.00  0.00    -0.261 N 
ATOM     12  N   LIG    1        6.066  -0.461   1.131  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        5.870  -0.669   2.432  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1        4.512  -0.628   2.778  0.00  0.00    +0.049 A 
BRANCH  11  15
ATOM     15  C   LIG    1        4.680   0.011  -0.787  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.802   0.881  -1.343  0.00  0.00    +0.179 C 
BRANCH  16  17
ATOM     17  O   LIG    1        5.476   1.295  -2.670  0.00  0.00    -0.393 OA
ATOM     18  H   LIG    1        6.252   1.776  -3.009  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        1.052  -4.145  -3.095  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        1.067  -3.334  -2.263  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -1.639   0.358   0.803  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -1.953   0.899   1.611  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.103   1.056  -0.395  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.581   1.305  -0.305  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.517   0.276  -0.248  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.326  -1.194  -0.198  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.766  -1.643  -0.445  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.664  -0.570  -0.083  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -5.877   0.550  -0.151  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.370   1.838  -0.107  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.453   2.885  -0.179  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.081   2.614  -0.279  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -3.232   3.650  -0.340  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 8