REMARK  Name = BDB013239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.918   0.146  -0.343  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1        1.994   1.112  -0.847  0.00  0.00    +0.191 A 
ATOM      3  N   LIG    1        0.654   0.821  -0.726  0.00  0.00    -0.252 N 
ATOM      4  C   LIG    1       -0.009   1.844  -1.335  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.850   2.744  -1.751  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.170  -0.341  -0.120  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.011  -1.236   0.317  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1        2.110   2.284  -1.443  0.00  0.00    -0.127 NA
ATOM      9  C   LIG    1        2.361  -0.965   0.196  0.00  0.00    +0.146 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        7.891  -0.496   0.061  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        6.551   0.055  -0.234  0.00  0.00    -0.013 A 
ATOM     12  C   LIG    1        5.319  -0.505   0.019  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        4.318   0.368  -0.426  0.00  0.00    -0.234 N 
ATOM     14  N   LIG    1        4.926   1.475  -0.952  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1        6.234   1.279  -0.834  0.00  0.00    +0.138 A 
ENDBRANCH   1  13
BRANCH   6  16
ATOM     16  N   LIG    1       -1.184  -0.572   0.000  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.295  -1.552   0.269  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.963   0.230   0.943  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.376  -0.275   0.995  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.240  -0.210  -0.095  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.003   0.266  -1.480  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.447   0.303  -1.983  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.250  -0.588  -1.176  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.536  -0.706  -0.012  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.034  -1.281   1.139  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.193  -1.344   2.249  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.886  -0.845   2.170  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.105  -0.932   3.256  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4