REMARK  Name = BDB051254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.166   2.739  -1.225  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.377   1.900  -0.806  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.854   0.597  -0.248  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.942  -0.355   0.228  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -3.375  -1.576   0.751  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.743  -1.844   0.796  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -5.664  -0.902   0.325  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.581  -0.025   0.154  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -1.137   1.171  -0.357  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1        0.231   1.149  -0.274  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        0.535  -0.111   0.308  0.00  0.00    +0.069 A 
ATOM     12  N   LIG    1       -0.575  -0.822   0.565  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1       -5.223   0.317  -0.198  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -2.013   2.121  -0.831  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.684   3.001  -1.207  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        1.887  -0.688   0.639  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1        2.668   0.186   1.644  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        3.746   1.031   0.973  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        4.767   0.170   0.227  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1        4.181  -1.123  -0.340  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        2.694  -0.988  -0.640  0.00  0.00    +0.010 C 
ENDBRANCH  11  16
TORSDOF 1