REMARK  Name = BDB057848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.286   2.978  -2.413  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -2.564   2.071  -1.460  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.215   1.762  -1.605  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -0.383   2.321  -2.720  0.00  0.00    +0.049 C 
ATOM      5  C   LIG    1       -0.666   0.942  -0.619  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -1.409   0.424   0.372  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -2.713   0.743   0.404  0.00  0.00    +0.162 A 
ATOM      8  N   LIG    1       -3.318   1.569  -0.462  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -3.514   0.201   1.516  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.765  -0.451   1.347  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1       -5.474  -0.871   2.493  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.956  -0.697   3.776  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.719  -0.095   3.945  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.010   0.348   2.829  0.00  0.00    +0.012 A 
BRANCH  10  15
ATOM     15  C   LIG    1       -5.365  -0.710  -0.035  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1       -6.517   0.257  -0.317  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.825  -2.163  -0.220  0.00  0.00    +0.012 C 
ENDBRANCH  10  15
ENDBRANCH   7   9
BRANCH   5  18
ATOM     18  N   LIG    1        0.701   0.615  -0.681  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        1.253   1.463  -0.757  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.182  -0.229   0.407  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.670  -0.439   0.235  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        3.155  -1.238  -0.807  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.530  -1.426  -0.980  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        5.458  -0.820  -0.119  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.962  -0.017   0.921  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.587   0.175   1.096  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.904  -1.016  -0.301  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.529  -0.800  -1.530  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        8.855  -0.964  -1.767  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        9.608  -1.365  -0.723  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        9.099  -1.609   0.541  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.732  -1.431   0.750  0.00  0.00    +0.011 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   5  18
TORSDOF 6