REMARK  Name = BDB028012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.455   1.694  -2.051  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1        3.248   0.909  -2.182  0.00  0.00    -0.350 N 
ATOM      3  C   LIG    1        2.361   0.645  -1.158  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.342  -0.142  -1.697  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        0.285  -0.568  -0.862  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        0.275  -0.195   0.486  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        1.308   0.593   0.994  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        1.644  -0.339  -3.072  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        2.368   1.028   0.190  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        2.822   0.320  -3.342  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   6  11
ATOM     11  O   LIG    1       -0.681  -0.522   1.408  0.00  0.00    -0.480 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.780  -1.340   1.006  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1       -2.303  -1.987   2.286  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1       -2.016  -3.135   2.621  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1       -3.132  -1.218   3.068  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1       -3.464  -1.656   3.916  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.799  -0.081   2.690  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -4.679   0.400   3.399  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.383   0.548   1.383  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.902  -0.505   0.393  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
TORSDOF 2