REMARK  Name = BDB020836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.631  -0.114   0.800  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.455  -1.068  -0.245  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1        0.170  -1.417  -0.592  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.301  -2.326  -1.601  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.576  -2.523  -1.862  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.966  -0.886   0.032  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.800  -0.029   1.003  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        2.306  -1.726  -1.008  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.484   0.336   1.359  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.664   4.091   1.348  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        6.030   3.215   2.401  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1        5.096   2.271   1.976  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1        5.001   1.810   0.590  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1        3.589   1.361   0.222  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        3.024   0.353   1.239  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1        3.118   0.956   2.653  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        4.549   1.365   2.985  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1        6.333   3.366   3.584  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   6  19
ATOM     19  N   LIG    1       -2.217  -1.275  -0.396  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.319  -1.832  -1.234  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.427  -0.603   0.038  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.373  -0.470  -1.125  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -5.317  -1.439  -1.453  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.603  -2.759  -0.835  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.920  -3.085  -1.548  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.978  -2.350  -2.791  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.126  -1.294  -2.579  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.044  -0.201  -3.417  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.110   0.787  -3.103  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.286   0.642  -1.977  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.373   1.596  -1.731  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4