REMARK  Name = BDB045505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.731   1.820  -0.338  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.521   1.633  -0.280  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.966   0.277  -0.175  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.591   0.146  -0.112  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -1.958  -1.099  -0.022  0.00  0.00    +0.078 A 
ATOM      6  N   LIG    1       -0.551  -1.241   0.036  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1        0.171  -0.150   0.017  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1       -0.407   1.101  -0.071  0.00  0.00    -0.323 N 
ATOM      9  H   LIG    1        0.175   1.921  -0.166  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -2.766  -2.236   0.009  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.163  -2.123  -0.050  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.752   1.344  -0.146  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -2.243   2.545  -0.246  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -4.766  -0.865  -0.144  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.606   2.665  -0.311  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -3.973   3.609  -0.384  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        1.659  -0.283   0.083  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.455   0.766   0.562  0.00  0.00    +0.061 A 
ATOM     19  C   LIG    1        3.821   0.571   0.590  0.00  0.00    +0.167 A 
ATOM     20  O   LIG    1        4.740   1.476   1.022  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        5.964   0.736   0.831  0.00  0.00    +0.466 C 
ATOM     22  O   LIG    1        5.755  -0.584   0.286  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1        4.401  -0.605   0.172  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1        3.647  -1.658  -0.295  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        2.259  -1.493  -0.336  0.00  0.00    +0.015 A 
ENDBRANCH   7  17
TORSDOF 1