REMARK  Name = BDB000234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.615  -0.261   0.455  0.00  0.00    +0.134 C 
ATOM      2  O   LIG    1        1.569   0.344  -0.318  0.00  0.00    -0.373 OA
ATOM      3  C   LIG    1        1.506   1.771  -0.190  0.00  0.00    +0.181 C 
ATOM      4  C   LIG    1        0.687   2.378  -1.339  0.00  0.00    +0.150 C 
ATOM      5  N   LIG    1       -0.747   2.300  -1.101  0.00  0.00    -0.344 N 
ATOM      6  C   LIG    1       -1.448   3.176  -0.277  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -2.694   2.593   0.052  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -2.723   1.254  -0.571  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.695   0.207  -0.440  0.00  0.00    +0.059 C 
ATOM     10  C   LIG    1       -5.147   0.413  -0.634  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1       -5.747  -0.780  -0.453  0.00  0.00    -0.248 N 
ATOM     12  H   LIG    1       -6.741  -0.925  -0.480  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.851  -1.715  -0.078  0.00  0.00    +0.252 C 
ATOM     14  O   LIG    1       -5.121  -2.857   0.246  0.00  0.00    -0.270 OA
ATOM     15  O   LIG    1       -5.712   1.459  -0.894  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1       -3.511  -1.083  -0.102  0.00  0.00    +0.059 C 
ATOM     17  C   LIG    1       -2.292  -1.776   0.213  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -1.849  -3.141  -0.151  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -0.558  -3.321   0.399  0.00  0.00    +0.050 A 
ATOM     20  N   LIG    1       -0.192  -2.158   1.066  0.00  0.00    -0.346 N 
ATOM     21  C   LIG    1        1.084  -1.920   1.707  0.00  0.00    +0.124 C 
ATOM     22  C   LIG    1        0.127  -4.508   0.227  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1       -0.482  -5.525  -0.515  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -1.758  -5.343  -1.072  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.451  -4.142  -0.895  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -1.256  -1.288   0.933  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1       -3.602   3.251   0.864  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -3.256   4.515   1.348  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.018   5.095   1.024  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -1.102   4.423   0.206  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -1.542   1.173  -1.221  0.00  0.00    +0.095 A 
ATOM     32  C   LIG    1        2.235  -1.735   0.710  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1  33
ATOM     33  C   LIG    1        3.958  -0.242  -0.343  0.00  0.00    +0.115 C 
BRANCH  33  35
ATOM     34  C   LIG    1        5.287   1.347   0.940  0.00  0.00    +0.104 C 
ATOM     35  N   LIG    1        4.677   1.052  -0.358  0.00  0.00    -0.306 NA
ATOM     36  C   LIG    1        5.713   1.037  -1.396  0.00  0.00    +0.104 C 
ENDBRANCH  33  35
ENDBRANCH   1  33
TORSDOF 2