REMARK  Name = BDB061692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.205   2.742   1.437  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1        1.944   2.157   0.995  0.00  0.00    -0.299 N 
ATOM      3  C   LIG    1        1.138   2.949   0.184  0.00  0.00    +0.216 C 
ATOM      4  O   LIG    1        1.457   4.104  -0.109  0.00  0.00    -0.276 OA
ATOM      5  C   LIG    1       -0.141   2.350  -0.387  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1       -1.107   3.413  -0.946  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.193   2.865  -1.885  0.00  0.00    +0.144 C 
ATOM      8  N   LIG    1       -2.913   1.724  -1.353  0.00  0.00    -0.270 N 
ATOM      9  N   LIG    1       -3.849   1.884  -0.401  0.00  0.00    -0.167 NA
ATOM     10  C   LIG    1       -4.046   0.637   0.091  0.00  0.00    +0.173 A 
ATOM     11  C   LIG    1       -3.221  -0.294  -0.597  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -2.907  -1.659  -0.203  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -1.563  -2.096  -0.031  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -1.612  -3.377   0.496  0.00  0.00    +0.139 A 
ATOM     15  N   LIG    1       -2.932  -3.739   0.575  0.00  0.00    -0.345 N 
ATOM     16  H   LIG    1       -3.246  -4.633   0.927  0.00  0.00    +0.167 HD
ATOM     17  N   LIG    1       -0.567  -4.134   0.882  0.00  0.00    -0.237 NA
ATOM     18  C   LIG    1        0.631  -3.500   0.739  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        0.828  -2.218   0.224  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.122  -1.562   0.152  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        2.519  -0.255   0.601  0.00  0.00    +0.089 A 
ATOM     22  N   LIG    1        3.817  -0.038   0.336  0.00  0.00    -0.173 NA
ATOM     23  N   LIG    1        4.222  -1.137  -0.322  0.00  0.00    -0.256 N 
ATOM     24  C   LIG    1        5.585  -1.213  -0.800  0.00  0.00    +0.174 C 
ATOM     25  C   LIG    1        3.247  -2.084  -0.459  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1       -0.296  -1.519  -0.203  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -3.734  -2.691   0.177  0.00  0.00    +0.093 A 
ATOM     28  C   LIG    1       -2.613   0.420  -1.602  0.00  0.00    +0.117 A 
ATOM     29  C   LIG    1        1.703   0.755   1.381  0.00  0.00    +0.165 C 
ENDROOT
BRANCH  10  30
ATOM     30  C   LIG    1       -4.942   0.358   1.265  0.00  0.00    +0.437 C 
ATOM     31  F   LIG    1       -5.586   1.462   1.731  0.00  0.00    -0.164 F 
ATOM     32  F   LIG    1       -5.911  -0.550   0.964  0.00  0.00    -0.164 F 
ATOM     33  F   LIG    1       -4.250  -0.153   2.322  0.00  0.00    -0.164 F 
ENDBRANCH  10  30
BRANCH  25  34
ATOM     34  C   LIG    1        3.431  -3.322  -1.129  0.00  0.00    +0.119 C 
ATOM     35  N   LIG    1        3.611  -4.331  -1.671  0.00  0.00    -0.189 NA
ENDBRANCH  25  34
TORSDOF 2