REMARK  Name = BDB001048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.849   0.512  -2.416  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.334  -0.060  -1.935  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.548   0.638  -2.021  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        1.566   1.884  -2.666  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.391   2.436  -3.183  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.817   1.752  -3.058  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.828  -0.312  -3.316  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.142  -0.203  -2.302  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -2.525  -0.713  -1.065  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -3.763  -1.490  -0.993  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -3.806  -2.380   0.260  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1       -3.656  -1.657   1.537  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1       -3.147  -2.254   2.189  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -2.950  -0.377   1.375  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1       -1.928  -0.338   0.224  0.00  0.00    +0.123 C 
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1        2.821   0.042  -1.463  0.00  0.00    +0.093 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.647  -0.507  -0.051  0.00  0.00    +0.074 A 
ATOM     18  C   LIG    1        2.553   0.423   1.104  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.329  -0.143   2.358  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.213   0.664   3.496  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.322   2.048   3.377  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        2.549   2.621   2.127  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.216  -1.605   2.477  0.00  0.00    +0.272 A 
ATOM     24  O   LIG    1        2.001  -2.144   3.557  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        2.361  -2.319   1.314  0.00  0.00    -0.242 N 
ATOM     26  H   LIG    1        2.292  -3.331   1.377  0.00  0.00    +0.192 HD
ATOM     27  C   LIG    1        2.665   1.813   0.991  0.00  0.00    +0.010 A 
ATOM     28  N   LIG    1        2.557  -1.799   0.074  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 3