REMARK  Name = BDB045472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.041   2.964  -0.058  0.00  0.00    +0.170 A 
ATOM      2  N   LIG    1        1.085   2.191   0.269  0.00  0.00    -0.159 NA
ATOM      3  N   LIG    1        0.670   0.903   0.108  0.00  0.00    -0.231 N 
ATOM      4  C   LIG    1       -0.695   0.854  -0.181  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -1.087   2.169  -0.352  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.637  -0.146   0.233  0.00  0.00    +0.066 A 
ATOM      7  C   LIG    1        1.396  -1.451  -0.211  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        2.376  -2.441  -0.069  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.607  -2.136   0.507  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.868  -0.837   0.933  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.893   0.154   0.793  0.00  0.00    +0.028 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1       -1.559  -0.323  -0.216  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -2.222  -0.674  -1.399  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.063  -1.788  -1.431  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.256  -2.551  -0.280  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.612  -2.199   0.905  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.771  -1.085   0.940  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  O   LIG    1        1.103   5.107   0.214  0.00  0.00    -0.243 OA
ATOM     19  C   LIG    1        0.124   4.426  -0.060  0.00  0.00    +0.357 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -1.032   5.047  -0.409  0.00  0.00    -0.476 OA
ATOM     21  H   LIG    1       -0.783   5.992  -0.352  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4