REMARK  Name = BDB020222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -2.051  -1.929  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.581  -1.050  -1.008  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -1.281  -0.113  -0.249  0.00  0.00    -0.303 N 
ATOM      4  C   LIG    1       -0.314   0.723   0.279  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        0.908   0.207  -0.088  0.00  0.00    +0.072 A 
ATOM      6  N   LIG    1        0.725  -0.884  -0.892  0.00  0.00    -0.236 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.277   0.695   0.267  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.756   0.065   1.573  0.00  0.00    +0.228 C 
ATOM      9  O   LIG    1        2.035  -0.110   2.555  0.00  0.00    -0.275 OA
ATOM     10  N   LIG    1        4.102  -0.212   1.666  0.00  0.00    -0.256 N 
ATOM     11  H   LIG    1        4.405  -0.591   2.552  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1        5.101   0.237   0.842  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        6.281   0.158   1.173  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        4.666   0.916  -0.433  0.00  0.00    +0.097 C 
ATOM     15  C   LIG    1        3.287   0.438  -0.857  0.00  0.00    +0.028 C 
ENDBRANCH   5   7
BRANCH   3  16
ATOM     16  C   LIG    1       -2.686   0.022  -0.029  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1       -3.550  -1.075  -0.131  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -4.922  -0.919   0.096  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.442   0.327   0.433  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.591   1.421   0.552  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.219   1.272   0.329  0.00  0.00    +0.026 A 
ENDBRANCH   3  16
TORSDOF 2