REMARK  Name = BDB045978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.915   0.271   0.249  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -2.592  -0.059   0.518  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.320   0.655   0.290  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -0.303  -0.132   0.800  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.770  -1.413   1.276  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -1.188   1.731  -0.262  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.248  -1.293   1.104  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.210  -2.233   1.438  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.541  -1.926   1.176  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.886  -0.695   0.591  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -3.602   2.583  -0.569  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -3.977   3.385  -1.056  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -2.587   2.526  -0.493  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.435   1.530  -0.356  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -5.621   1.636  -0.658  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  C   LIG    1        1.110   0.171   0.649  0.00  0.00    +0.113 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.664  -0.307  -0.696  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.133   0.002  -0.835  0.00  0.00    -0.046 A 
ATOM     19  C   LIG    1        4.100  -0.950  -0.485  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.458  -0.650  -0.597  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.862   0.603  -1.055  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.908   1.558  -1.401  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.550   1.261  -1.290  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 4