REMARK  Name = BDB018416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.508  -5.062   1.889  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.045  -3.812   1.375  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        2.415  -3.595   1.412  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        3.247  -4.384   1.850  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        2.872  -2.290   0.875  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.005  -1.396   0.366  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        0.564  -1.701   0.334  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        0.165  -2.884   0.846  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.603  -0.120  -0.084  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        3.364  -0.065  -1.260  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        3.918   1.146  -1.686  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.716   2.314  -0.940  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        2.959   2.262   0.236  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.407   1.050   0.661  0.00  0.00    +0.009 A 
BRANCH  12  15
ATOM     15  C   LIG    1        4.322   3.575  -1.433  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        4.986   3.698  -2.445  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        4.066   4.625  -0.632  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        4.519   5.373  -1.076  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1       -0.398  -0.788  -0.215  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -1.594  -0.424   0.365  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.230   0.444  -0.497  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.442   0.703  -1.578  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.365  -0.065  -1.416  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.507   1.079  -0.386  0.00  0.00    +0.083 A 
ATOM     25  C   LIG    1       -4.522   0.673   0.501  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -5.730   1.398   0.549  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -5.945   2.500  -0.279  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.958   2.886  -1.176  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.755   2.181  -1.234  0.00  0.00    +0.029 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.463  -0.495   1.330  0.00  0.00    +0.101 C 
ATOM     31  N   LIG    1       -4.431  -1.440   2.005  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 6