REMARK  Name = BDB029410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234  -0.866  -0.583  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.191   0.073  -0.525  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1        1.058  -0.209  -1.091  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.277  -1.417  -1.757  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        0.254  -2.360  -1.823  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.987  -2.087  -1.236  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  14
ATOM      7  O   LIG    1       -7.581   2.269   1.231  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -6.565   1.625   1.029  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1       -6.255   0.398   1.602  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -6.867  -0.072   2.251  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -5.026  -0.066   1.162  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.470   0.849   0.274  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -3.237   0.611  -0.308  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -2.549  -0.576   0.015  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.146  -1.486   0.925  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.394  -1.237   1.508  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -5.402   2.012   0.106  0.00  0.00    +0.133 C 
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  C   LIG    1        2.115   0.825  -1.024  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        3.367   0.477  -0.530  0.00  0.00    -0.295 N 
ATOM     20  C   LIG    1        3.658  -0.737   0.243  0.00  0.00    +0.123 C 
ATOM     21  C   LIG    1        4.751  -0.496   1.301  0.00  0.00    +0.100 C 
ATOM     22  N   LIG    1        6.022   0.007   0.755  0.00  0.00    -0.313 NA
ATOM     23  H   LIG    1        6.504   0.536   1.482  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        5.825   0.859  -0.431  0.00  0.00    +0.100 C 
ATOM     25  C   LIG    1        4.427   1.485  -0.566  0.00  0.00    +0.123 C 
ATOM     26  O   LIG    1        1.834   1.957  -1.411  0.00  0.00    -0.270 OA
ENDBRANCH   3  18
TORSDOF 2