REMARK  Name = BDB049061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.493  -0.698  -0.646  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -3.180  -2.137  -0.642  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -1.714  -2.275  -0.150  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1       -1.381  -0.855   0.365  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -2.208   0.013  -0.593  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.089  -0.498   0.405  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.691  -0.171   1.623  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        2.049   0.174   1.689  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        2.868   0.204   0.551  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.249  -0.133  -0.662  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        0.891  -0.478  -0.739  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        4.211   0.547   0.621  0.00  0.00    -0.330 N 
ATOM     13  C   LIG    1        5.152   0.125  -0.421  0.00  0.00    +0.105 C 
ATOM     14  C   LIG    1        6.558  -0.029   0.159  0.00  0.00    +0.022 C 
ATOM     15  C   LIG    1        7.080   1.268   0.796  0.00  0.00    -0.011 C 
ATOM     16  C   LIG    1        7.986   2.039  -0.164  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        5.935   2.166   1.286  0.00  0.00    +0.022 C 
ATOM     18  C   LIG    1        4.723   1.352   1.734  0.00  0.00    +0.105 C 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  19
ATOM     19  N   LIG    1       -1.386  -3.411   0.738  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1       -1.652  -4.695   0.091  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.028  -3.357   2.049  0.00  0.00    +0.104 C 
ENDBRANCH   3  19
BRANCH   1  22
ATOM     22  C   LIG    1       -4.330  -0.309  -1.783  0.00  0.00    +0.122 C 
BRANCH  22  25
ATOM     23  C   LIG    1       -6.223   0.681   0.363  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.703   1.587  -0.720  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -4.809   1.126  -1.713  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.347   2.039  -2.672  0.00  0.00    +0.128 A 
ATOM     27  F   LIG    1       -3.500   1.633  -3.630  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -4.739   3.374  -2.664  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.610   3.827  -1.680  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -6.085   2.940  -0.713  0.00  0.00    +0.004 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5