REMARK  Name = BDB053231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.687  -0.730   0.330  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        2.755   0.157   0.041  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        4.064  -0.204   0.438  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        5.207   0.704   0.149  0.00  0.00    +0.257 A 
ATOM      5  N   LIG    1        4.905   1.874  -0.507  0.00  0.00    -0.329 N 
ATOM      6  H   LIG    1        5.695   2.482  -0.696  0.00  0.00    +0.168 HD
ATOM      7  C   LIG    1        3.648   2.235  -0.895  0.00  0.00    +0.086 A 
ATOM      8  O   LIG    1        6.357   0.431   0.475  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        4.321  -1.405   1.104  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.271  -2.267   1.385  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.591   1.450  -0.657  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        1.970  -1.931   1.002  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1       -0.882  -2.253   0.610  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.800  -1.137   0.112  0.00  0.00    +0.220 C 
ATOM     15  N   LIG    1        0.361  -0.394  -0.055  0.00  0.00    -0.285 N 
ATOM     16  H   LIG    1        0.241   0.486  -0.530  0.00  0.00    +0.155 HD
BRANCH  14  17
ATOM     17  C   LIG    1       -2.038  -0.398  -0.414  0.00  0.00    +0.075 C 
ATOM     18  C   LIG    1       -2.343   0.833   0.453  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -3.601   1.561  -0.015  0.00  0.00    +0.001 C 
ATOM     20  C   LIG    1       -4.803   0.625  -0.091  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -4.507  -0.597  -0.954  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -3.257  -1.330  -0.475  0.00  0.00    +0.013 C 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 2