REMARK  Name = BDB028014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.790  -2.526   0.376  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        3.376  -2.365   0.593  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        2.612  -1.296   0.197  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        1.330  -1.617   0.634  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        0.268  -0.730   0.394  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        0.527   0.462  -0.289  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        1.829   0.761  -0.709  0.00  0.00    +0.048 A 
ATOM      8  N   LIG    1        1.318  -2.833   1.276  0.00  0.00    -0.236 NA
ATOM      9  C   LIG    1        2.902  -0.110  -0.481  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        2.562  -3.256   1.233  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   6  11
ATOM     11  O   LIG    1       -0.393   1.430  -0.589  0.00  0.00    -0.480 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.778   1.131  -0.439  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1       -2.566   1.923  -1.491  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1       -2.101   2.300  -2.565  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1       -3.885   2.180  -1.189  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1       -4.399   2.699  -1.888  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.515   2.024   0.020  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.664   2.419   0.193  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.738   1.302   1.093  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.248   1.555   0.950  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
TORSDOF 2