REMARK  Name = BDB001696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.516   1.589  -0.992  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.930   0.546  -0.493  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1        0.148  -0.459   0.068  0.00  0.00    -0.203 N 
ATOM      4  H   LIG    1        0.553  -1.389   0.130  0.00  0.00    +0.178 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.397   0.268  -0.500  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        2.996  -0.488   0.525  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        4.377  -0.688   0.431  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        5.157  -0.178  -0.603  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        6.473  -0.529  -0.442  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        6.512  -1.234   0.665  0.00  0.00    +0.197 A 
ATOM     11  C   LIG    1        4.548   0.586  -1.609  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        5.274  -1.353   1.230  0.00  0.00    -0.344 N 
ATOM     13  H   LIG    1        5.060  -1.847   2.085  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1        3.166   0.807  -1.543  0.00  0.00    +0.015 A 
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  N   LIG    1       -1.222  -0.480   0.073  0.00  0.00    -0.187 NA
ATOM     16  C   LIG    1       -1.848   0.640   0.227  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.321   0.713   0.177  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.176  -0.372   0.384  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -5.567  -0.241   0.264  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1       -6.108   1.002  -0.062  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -5.267   2.099  -0.258  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.881   1.958  -0.139  0.00  0.00    +0.012 A 
BRANCH  18  23
ATOM     23  N   LIG    1       -3.670  -1.657   0.813  0.00  0.00    +0.057 N 
ATOM     24  O   LIG    1       -3.234  -1.731   1.971  0.00  0.00    -0.126 OA
ATOM     25  O   LIG    1       -3.799  -2.604   0.025  0.00  0.00    -0.126 OA
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH   3  15
TORSDOF 4