REMARK  Name = BDB016170
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.766  -0.156  -1.433  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -1.673  -0.537  -0.410  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.347  -0.325   0.949  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.395   0.026   1.036  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.238   0.499   1.771  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.709   0.427   1.421  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.212  -0.980   1.251  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.813  -1.663   0.138  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.391  -2.464  -0.080  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.045  -1.468   2.017  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.001   0.116   3.235  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.834  -1.255  -0.786  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.028  -1.654  -2.115  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.130  -1.272  -3.107  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.014  -0.512  -2.771  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        1.778  -1.502  -0.840  0.00  0.00    +0.061 C 
ATOM     17  C   LIG    1        1.654   0.018  -0.842  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        0.469   0.615  -1.148  0.00  0.00    +0.018 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.373   2.104  -1.239  0.00  0.00    +0.111 C 
ATOM     20  N   LIG    1       -0.736   2.769  -1.234  0.00  0.00    -0.307 NA
ATOM     21  H   LIG    1       -0.539   3.772  -1.324  0.00  0.00    +0.186 HD
ENDBRANCH  18  19
BRANCH  17  22
ATOM     22  N   LIG    1        2.823   0.715  -0.506  0.00  0.00    -0.344 N 
ATOM     23  H   LIG    1        2.675   1.681  -0.227  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.055   0.162   0.057  0.00  0.00    +0.064 C 
ATOM     25  C   LIG    1        3.947   0.107   1.579  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        5.222   1.054  -0.364  0.00  0.00    +0.027 C 
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH   1  18
TORSDOF 4