REMARK  Name = BDB020852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.059  -0.001  -0.208  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        1.529  -1.171   0.409  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.177  -1.388   0.292  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.070  -2.538   0.983  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.051  -3.013   1.476  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.689  -0.530  -0.399  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.204   0.553  -0.943  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.061  -2.151   1.113  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.151   0.789  -0.826  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.623   1.395   0.136  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1        6.305   0.775   0.037  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1        5.493   1.060   1.227  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1        4.171   0.273   1.184  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        3.473   0.382  -0.155  0.00  0.00    -0.037 C 
ATOM     15  C   LIG    1        4.163   0.817  -1.228  0.00  0.00    -0.007 C 
ATOM     16  C   LIG    1        5.614   1.208  -1.183  0.00  0.00    +0.111 C 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -2.029  -0.851  -0.475  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.278  -1.831  -0.400  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.922  -0.114  -1.355  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.343  -0.489  -1.047  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.987  -0.071   0.114  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.476   0.728   1.255  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.799   1.022   1.962  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.771   0.021   1.580  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.292  -0.459   0.389  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -7.013  -1.272  -0.461  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -6.392  -1.698  -1.634  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -5.075  -1.308  -1.915  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -4.505  -1.755  -3.044  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4