REMARK  Name = BDB012267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.997   0.338  -2.466  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.229   0.251  -1.266  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -0.247   0.117  -0.306  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -0.528  -0.117   0.638  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.161  -0.006  -0.666  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.462  -1.440  -1.138  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1        2.914  -1.827  -0.885  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1        3.242  -1.815   0.618  0.00  0.00    +0.077 C 
ATOM      9  C   LIG    1        2.463  -0.734   1.393  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1        2.058   0.439   0.501  0.00  0.00    +0.023 C 
BRANCH   8  11
ATOM     11  C   LIG    1        4.712  -1.698   0.836  0.00  0.00    +0.221 A 
ATOM     12  O   LIG    1        5.322  -0.524   0.480  0.00  0.00    -0.419 OA
ATOM     13  C   LIG    1        6.633  -0.772   0.819  0.00  0.00    +0.268 A 
ATOM     14  N   LIG    1        6.792  -1.978   1.331  0.00  0.00    -0.106 NA
ATOM     15  N   LIG    1        5.548  -2.576   1.342  0.00  0.00    -0.112 NA
BRANCH  13  16
ATOM     16  C   LIG    1        7.594   0.292   0.570  0.00  0.00    +0.145 A 
ATOM     17  N   LIG    1        8.884   0.042   0.922  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1        9.769   1.038   0.687  0.00  0.00    +0.131 A 
ATOM     19  C   LIG    1        9.396   2.246   0.123  0.00  0.00    +0.130 A 
ATOM     20  N   LIG    1        8.119   2.512  -0.231  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        7.232   1.511   0.004  0.00  0.00    +0.144 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.625   0.252  -0.683  0.00  0.00    +0.103 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.674   0.615  -1.728  0.00  0.00    +0.083 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.049   0.404  -1.153  0.00  0.00    +0.111 A 
ATOM     25  N   LIG    1       -5.634  -0.804  -1.423  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -5.179  -1.486  -2.013  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -6.875  -1.158  -0.958  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -7.381  -2.242  -1.219  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -7.552  -0.151  -0.124  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -6.876   1.050   0.108  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -7.497   2.022   0.895  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -8.766   1.795   1.437  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.427   0.590   1.196  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -8.821  -0.391   0.412  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -5.599   1.314  -0.417  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6