REMARK  Name = BDB000850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.722  -0.258   0.066  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1        1.197  -0.079  -0.099  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1        0.676   1.041  -0.147  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        0.424  -1.215  -0.190  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        0.869  -2.604  -0.299  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1       -0.276  -3.247  -1.091  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1       -1.520  -2.513  -0.605  0.00  0.00    +0.034 C 
ATOM      8  C   LIG    1        1.043  -3.221   1.096  0.00  0.00    +0.022 C 
ATOM      9  C   LIG    1        2.490  -3.455   1.534  0.00  0.00    +0.002 C 
ATOM     10  C   LIG    1        3.535  -2.382   1.227  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -1.026  -1.086  -0.350  0.00  0.00    +0.162 C 
ATOM     12  C   LIG    1        3.090  -0.926   1.401  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.748   1.601  -1.214  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        3.334   1.067  -0.010  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.013   1.771   0.652  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.883   0.936  -2.237  0.00  0.00    -0.274 OA
BRANCH  13  18
ATOM     17  C   LIG    1        5.036   3.568  -2.154  0.00  0.00    +0.033 C 
ATOM     18  C   LIG    1        3.969   3.131  -1.159  0.00  0.00    +0.135 C 
BRANCH  18  19
ATOM     19  N   LIG    1        4.328   3.556   0.215  0.00  0.00    -0.320 NA
ATOM     20  H   LIG    1        5.214   3.114   0.465  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1        4.511   4.559   0.210  0.00  0.00    +0.119 HD
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH  11  22
ATOM     22  C   LIG    1       -1.710  -0.533   0.919  0.00  0.00    +0.234 C 
ATOM     23  N   LIG    1       -2.945   0.044   0.791  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.279   0.437   1.664  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1       -1.240  -0.673   2.050  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.495   0.584  -0.430  0.00  0.00    +0.139 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.876   1.134  -0.201  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -5.983   0.275  -0.149  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -7.262   0.783   0.085  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.446   2.151   0.277  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.351   3.012   0.239  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.071   2.507   0.005  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  11  22
TORSDOF 6