REMARK  Name = BDB059953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.428  -0.201   1.005  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -1.587   0.547   0.183  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.123   0.557   0.380  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1        0.286   1.924   0.909  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1       -0.242   3.042   0.213  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.114   4.334   0.600  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        0.965   4.539   1.682  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.469   3.442   2.381  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.154   2.764  -0.961  0.00  0.00    +0.058 C 
ATOM     10  C   LIG    1        1.134   2.141   1.998  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -2.144   1.633  -0.636  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -2.057  -0.609   2.108  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1       -3.742  -1.416  -0.955  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -3.804  -0.575   0.371  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -4.571  -1.773   0.995  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -4.953  -2.217  -0.425  0.00  0.00    +0.016 C 
BRANCH  13  18
ATOM     17  O   LIG    1       -2.017  -3.218  -0.679  0.00  0.00    -0.251 OA
ATOM     18  C   LIG    1       -2.410  -2.189  -1.212  0.00  0.00    +0.309 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.621  -1.568  -2.123  0.00  0.00    -0.480 OA
ATOM     20  H   LIG    1       -0.740  -2.025  -2.067  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  O   LIG    1       -0.385   5.396  -0.098  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -0.049   6.214   0.305  0.00  0.00    +0.292 HD
ENDBRANCH   6  21
BRANCH   3  23
ATOM     23  C   LIG    1        0.475  -0.727   1.029  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  N   LIG    1        1.743  -1.121   0.421  0.00  0.00    -0.232 N 
ATOM     25  C   LIG    1        2.970  -0.983   1.005  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1        3.266  -0.514   2.087  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        3.942  -1.531   0.060  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        3.245  -1.980  -1.048  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        3.881  -2.559  -2.128  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        5.273  -2.676  -2.061  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.984  -2.218  -0.932  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.316  -1.636   0.150  0.00  0.00    +0.014 A 
ATOM     33  C   LIG    1        1.827  -1.716  -0.812  0.00  0.00    +0.254 C 
ATOM     34  O   LIG    1        0.934  -1.980  -1.600  0.00  0.00    -0.270 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6