REMARK  Name = BDB052839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.911   0.693   0.413  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -1.478   1.679  -0.394  0.00  0.00    -0.280 N 
ATOM      3  C   LIG    1       -0.568   2.737  -0.510  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.581   2.389   0.210  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        1.657   3.303   0.276  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.566   4.539  -0.367  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        0.409   4.886  -1.050  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.674   4.005  -1.120  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.356   1.108   0.788  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.239   0.370   1.677  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        2.400  -0.159   1.121  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.320  -0.914   1.965  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.484  -2.361   1.456  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        3.475  -2.532  -0.016  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        2.524  -2.815  -0.270  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.740  -1.250  -0.690  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.712  -0.163  -0.313  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.957   0.240   2.866  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.756   1.592  -1.032  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.933   2.081  -2.334  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.178   1.982  -2.960  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.251   1.392  -2.295  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.080   0.895  -1.005  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.837   0.990  -0.374  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.563  -0.446   0.682  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -1.157  -2.434   2.717  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -0.834  -2.653   1.266  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.007  -1.648   0.305  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1       -0.699  -1.888  -1.039  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -0.174  -3.119  -1.427  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        0.035  -4.114  -0.475  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.290  -3.882   0.863  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4