REMARK  Name = BDB016173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -0.127   1.442  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.282   0.053   0.776  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.773  -1.040   0.047  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.014  -1.648  -0.256  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.814  -0.939  -0.960  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.120  -0.503  -0.343  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.208   0.971  -0.130  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.219   1.655   0.490  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.496   2.618   0.637  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.223   1.589  -0.467  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.359  -0.157  -2.190  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -1.952   1.281   0.979  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -1.327   2.300   1.731  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -0.086   2.117   2.333  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        0.556   0.899   2.201  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.525  -2.995   0.769  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        1.878  -1.636   0.739  0.00  0.00    -0.043 C 
ATOM     18  C   LIG    1        0.707  -1.409   1.369  0.00  0.00    +0.013 C 
BRANCH  17  19
ATOM     19  C   LIG    1        2.613  -0.598  -0.016  0.00  0.00    -0.022 A 
ATOM     20  C   LIG    1        3.914  -0.237   0.361  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        4.616   0.737  -0.353  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.026   1.357  -1.452  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.736   1.004  -1.840  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.034   0.029  -1.127  0.00  0.00    +0.008 A 
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 2