REMARK  Name = BDB042833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.422  -0.901   0.478  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -0.094  -0.699   0.584  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.337   0.569   0.674  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1       -0.468   1.643   0.655  0.00  0.00    -0.217 NA
ATOM      5  C   LIG    1       -1.791   1.435   0.576  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -2.312   0.158   0.478  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.826   0.831   0.732  0.00  0.00    +0.074 C 
ATOM      8  C   LIG    1        2.409   0.870  -0.700  0.00  0.00    +0.119 C 
ATOM      9  N   LIG    1        3.485  -0.113  -0.879  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        4.827   0.262  -0.813  0.00  0.00    +0.213 C 
ATOM     11  O   LIG    1        5.723  -0.476  -0.407  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1        5.166   1.655  -1.284  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        3.070  -1.456  -0.456  0.00  0.00    +0.073 C 
ATOM     14  C   LIG    1        3.885  -2.618  -1.023  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1        2.951  -1.499   1.072  0.00  0.00    +0.023 C 
ATOM     16  C   LIG    1        2.570  -0.136   1.679  0.00  0.00    +0.014 C 
ENDBRANCH   3   7
BRANCH   1  19
ATOM     17  C   LIG    1       -3.356  -4.056  -0.416  0.00  0.00    +0.139 A 
ATOM     18  C   LIG    1       -2.991  -2.710  -0.336  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -1.844  -2.307   0.366  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.105  -3.334   0.956  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1       -1.425  -4.652   0.908  0.00  0.00    -0.259 NA
ATOM     22  C   LIG    1       -2.543  -4.980   0.223  0.00  0.00    +0.156 A 
BRANCH  17  24
ATOM     23  C   LIG    1       -4.870  -5.679  -1.254  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -4.493  -4.312  -1.127  0.00  0.00    -0.494 OA
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   5  25
ATOM     25  N   LIG    1       -2.704   2.518   0.566  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1       -3.450   2.343   1.232  0.00  0.00    +0.154 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.435   3.900   0.434  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1       -3.372   4.824   0.917  0.00  0.00    +0.061 A 
ATOM     29  C   LIG    1       -3.165   6.191   0.752  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1       -4.069   7.054   1.237  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -2.046   6.675   0.091  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -1.122   5.772  -0.426  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -1.324   4.396  -0.264  0.00  0.00    +0.023 A 
ENDBRANCH  25  27
ENDBRANCH   5  25
TORSDOF 5