REMARK  Name = BDB002917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.163  -3.701   0.127  0.00  0.00    -0.264 OA
ATOM      2  C   LIG    1       -2.562  -2.629   0.104  0.00  0.00    +0.294 A 
ATOM      3  C   LIG    1       -1.136  -2.459   0.062  0.00  0.00    +0.227 A 
ATOM      4  N   LIG    1       -0.525  -1.226   0.045  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        0.832  -1.503   0.039  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1        0.996  -2.815   0.006  0.00  0.00    -0.128 NA
ATOM      7  C   LIG    1       -1.283  -0.031   0.037  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1       -2.683  -0.176   0.083  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -3.510   0.947   0.085  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -2.945   2.220   0.035  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.559   2.368  -0.021  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.723   1.246  -0.022  0.00  0.00    +0.028 A 
ATOM     13  N   LIG    1       -0.236  -3.415   0.028  0.00  0.00    -0.123 NA
ATOM     14  N   LIG    1       -3.276  -1.448   0.121  0.00  0.00    -0.318 N 
ATOM     15  H   LIG    1       -4.282  -1.551   0.149  0.00  0.00    +0.169 HD
ENDROOT
BRANCH   5  16
ATOM     16  C   LIG    1        1.933  -0.553   0.075  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.359  -0.007   1.293  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        3.417   0.904   1.323  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.061   1.263   0.140  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.656   0.707  -1.074  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.599  -0.204  -1.106  0.00  0.00    +0.011 A 
ENDBRANCH   5  16
TORSDOF 1