REMARK  Name = BDB053686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242   0.615  -0.825  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -0.943   1.503   0.001  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -0.015   2.096   0.862  0.00  0.00    +0.149 A 
ATOM      4  C   LIG    1        1.263   1.771   0.412  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        2.362   2.375   1.054  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        2.109   3.238   2.115  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        0.796   3.470   2.483  0.00  0.00    +0.113 A 
ATOM      8  N   LIG    1       -0.290   2.933   1.892  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        1.115   0.857  -0.664  0.00  0.00    +0.108 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.155   0.274  -1.494  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        3.056  -0.605  -0.898  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.937  -1.190   0.440  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.318  -1.458   1.067  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.245  -2.255   0.247  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.368  -3.182   0.653  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.791  -2.394  -1.145  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.150  -1.122  -1.724  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.238   0.583  -2.681  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.337   1.823  -0.061  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -3.047   2.170   1.096  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.404   2.492   1.019  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.059   2.482  -0.211  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.356   2.157  -1.368  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.999   1.834  -1.296  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -0.800  -0.278  -1.653  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.955  -1.690   1.073  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.929  -1.820  -0.059  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.801  -1.155  -1.290  0.00  0.00    +0.133 A 
ATOM     29  C   LIG    1       -2.718  -1.414  -2.320  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -3.802  -2.266  -2.119  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.970  -2.881  -0.886  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.041  -2.662   0.133  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4