REMARK  Name = BDB013176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.776   0.778  -0.812  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        1.378  -0.114  -1.841  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.062  -0.071  -2.233  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.038  -0.961  -3.261  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.119  -1.555  -3.452  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.876   0.793  -1.659  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.496   1.645  -0.743  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.016  -1.019  -2.554  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.822   1.605  -0.332  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.635   1.096   0.771  0.00  0.00    +0.318 A 
ATOM     11  N   LIG    1        4.949  -0.021   1.068  0.00  0.00    -0.200 NA
ATOM     12  C   LIG    1        3.701  -0.136   0.551  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        2.971  -1.402   0.898  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        3.131   0.851  -0.247  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        3.939   1.951  -0.481  0.00  0.00    +0.126 A 
ATOM     16  N   LIG    1        5.182   2.104   0.018  0.00  0.00    -0.203 NA
BRANCH  10  18
ATOM     17  C   LIG    1        7.386   0.148   1.986  0.00  0.00    +0.280 C 
ATOM     18  O   LIG    1        6.905   1.278   1.271  0.00  0.00    -0.466 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.198   0.789  -2.056  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.636   1.607  -1.635  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.046  -0.374  -1.798  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.321  -0.536  -0.331  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.319   0.170   0.334  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.265   1.199  -0.162  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -6.210   1.271   1.038  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -5.515   0.795   2.212  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -4.506   0.020   1.703  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -3.722  -0.819   2.470  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -2.718  -1.539   1.824  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -2.527  -1.392   0.445  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -1.539  -2.085  -0.142  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5