REMARK  Name = BDB023022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.861   0.318   2.243  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        2.035  -0.001   1.016  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        2.563  -0.260  -0.210  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.646  -0.576  -1.252  0.00  0.00    +0.173 A 
ATOM      5  N   LIG    1        0.312  -0.569  -0.941  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.331  -0.960  -2.078  0.00  0.00    +0.232 A 
ATOM      7  N   LIG    1        0.542  -1.143  -3.042  0.00  0.00    -0.137 NA
ATOM      8  C   LIG    1       -0.170  -0.252   0.327  0.00  0.00    +0.203 A 
ATOM      9  N   LIG    1        1.794  -0.900  -2.520  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        0.671   0.004   1.290  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        4.024  -0.237  -0.451  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        4.718   0.964  -0.726  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        4.039   2.299  -0.790  0.00  0.00    +0.068 C 
ATOM     14  N   LIG    1        6.101   0.933  -0.909  0.00  0.00    -0.144 N 
ATOM     15  O   LIG    1        6.780   1.992  -1.107  0.00  0.00    -0.164 OA
ATOM     16  C   LIG    1        6.764  -0.287  -0.858  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        6.095  -1.480  -0.617  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.723  -1.451  -0.410  0.00  0.00    +0.012 A 
ENDBRANCH   3  11
BRANCH   8  19
ATOM     19  N   LIG    1       -1.523  -0.233   0.590  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.626  -0.188   1.606  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.345   0.836   0.022  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.751   0.727   0.536  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.578  -0.356   0.249  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.301  -1.600  -0.510  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.726  -2.135  -0.643  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.543  -1.565   0.404  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.868  -0.427   0.760  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.398   0.558   1.569  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.595   1.659   1.859  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.293   1.736   1.345  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.550   2.808   1.653  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4