REMARK  Name = BDB017345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.781   1.057  -0.853  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.620   0.691  -1.010  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -3.912  -0.138   0.010  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -4.728  -0.475   1.231  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.892  -1.035   2.379  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.904  -2.066   1.860  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -1.959  -1.450   0.823  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.635  -0.542  -0.180  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.904  -0.098  -1.401  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1       -2.599   0.655  -2.354  0.00  0.00    +0.145 A 
ATOM     11  N   LIG    1       -2.087   1.110  -3.521  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -0.802   0.811  -3.783  0.00  0.00    +0.117 A 
ATOM     13  C   LIG    1       -0.003   0.096  -2.918  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1       -0.555  -0.336  -1.706  0.00  0.00    +0.141 A 
ATOM     15  N   LIG    1       -3.919   1.010  -2.127  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1       -4.373   1.565  -2.837  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  14  17
ATOM     17  O   LIG    1        0.250  -1.054  -0.848  0.00  0.00    -0.455 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.379  -0.424  -0.370  0.00  0.00    +0.132 A 
ATOM     19  C   LIG    1        2.527  -1.206  -0.261  0.00  0.00    +0.093 A 
ATOM     20  C   LIG    1        3.704  -0.642   0.231  0.00  0.00    +0.145 A 
ATOM     21  O   LIG    1        4.796  -1.479   0.281  0.00  0.00    -0.488 OA
ATOM     22  C   LIG    1        6.026  -0.760   0.450  0.00  0.00    +0.247 C 
ATOM     23  C   LIG    1        5.912   0.303   1.541  0.00  0.00    +0.142 C 
ATOM     24  N   LIG    1        4.917   1.301   1.151  0.00  0.00    -0.338 N 
ATOM     25  H   LIG    1        4.725   1.990   1.873  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1        3.732   0.693   0.682  0.00  0.00    +0.070 A 
ATOM     27  C   LIG    1        2.574   1.467   0.552  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        1.396   0.909   0.045  0.00  0.00    +0.048 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
TORSDOF 2