REMARK  Name = BDB046839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.810   1.618  -1.512  0.00  0.00    +0.075 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -5.668  -0.714   0.326  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1       -4.765   0.364   0.381  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -4.907   1.307   1.407  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -3.950   2.426   1.445  0.00  0.00    +0.259 A 
ATOM      6  N   LIG    1       -3.000   2.429   0.458  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -2.346   3.198   0.483  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -2.932   1.471  -0.514  0.00  0.00    +0.110 A 
ATOM      9  O   LIG    1       -3.996   3.301   2.302  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -5.915   1.201   2.371  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -6.800   0.129   2.316  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.745   0.470  -0.586  0.00  0.00    -0.233 NA
ATOM     13  C   LIG    1       -6.676  -0.823   1.302  0.00  0.00    +0.006 A 
BRANCH   2  15
ATOM     14  C   LIG    1       -4.559  -2.860  -0.370  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -5.560  -1.777  -0.743  0.00  0.00    +0.034 C 
ENDBRANCH   2  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -0.497   1.111  -0.914  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.639   1.198  -1.941  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.960   0.746  -1.500  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.996  -0.656  -1.071  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        3.449  -1.146  -0.921  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        4.324  -0.150  -0.198  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        3.897   1.111   0.003  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        2.575   1.623  -0.497  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.636  -0.594   0.303  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        5.749  -1.714   1.136  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.998  -2.133   1.602  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        8.149  -1.436   1.238  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.052  -0.321   0.409  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.803   0.098  -0.055  0.00  0.00    +0.008 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6