REMARK  Name = BDB014852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.861   3.112  -3.151  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.378   2.882  -3.017  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.963   1.836  -2.202  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.510   1.585  -2.174  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.144   0.716  -1.025  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.876   0.322  -0.521  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.028  -0.490   0.531  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.355  -0.600   0.718  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -3.066   0.088  -0.216  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.536   0.207  -0.362  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.852   0.730  -1.780  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.582   3.612  -3.608  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.861  -1.386   1.815  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -2.539  -2.866   1.720  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -2.673  -3.391   3.054  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -2.636  -2.289   3.975  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.299  -1.044   3.181  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.284   0.750  -1.078  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        0.216   1.410  -1.844  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.634   0.459  -0.778  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        2.036  -0.455   0.199  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.394  -0.700   0.454  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        4.391  -0.032  -0.264  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1        3.999   0.883  -1.245  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.641   1.124  -1.495  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.801  -0.279  -0.012  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        6.338  -0.692   1.190  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        7.686  -0.787   0.998  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.677  -1.181   1.970  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        8.075  -0.462  -0.247  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.928  -0.153  -0.859  0.00  0.00    +0.142 A 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4