REMARK  Name = BDB018756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.865  -0.507   1.956  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -5.253   0.810   2.302  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -4.399   1.174   1.084  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -4.234   2.682   0.952  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.974   3.495   1.500  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -3.263   3.110   0.085  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -3.252   4.104  -0.110  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -2.260   2.289  -0.436  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.121   0.982   0.037  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.095   0.172  -0.469  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.211   0.649  -1.453  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -0.374   1.970  -1.906  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.386   2.789  -1.396  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -3.019   0.499   1.146  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.270   0.636  -0.061  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -5.848  -0.666   0.479  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.862  -0.206  -1.987  0.00  0.00    -0.017 A 
ATOM     18  C   LIG    1        1.771  -0.845  -1.128  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.793  -1.651  -1.644  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        2.900  -1.867  -3.019  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        2.006  -1.240  -3.884  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.001  -0.413  -3.371  0.00  0.00    +0.008 A 
BRANCH  19  23
ATOM     23  C   LIG    1        3.742  -2.338  -0.740  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1        4.461  -1.582   0.179  0.00  0.00    -0.295 N 
ATOM     25  C   LIG    1        4.610  -0.122   0.131  0.00  0.00    +0.123 C 
ATOM     26  C   LIG    1        5.970   0.346   0.683  0.00  0.00    +0.100 C 
ATOM     27  N   LIG    1        6.282  -0.120   2.042  0.00  0.00    -0.313 NA
ATOM     28  H   LIG    1        5.956   0.560   2.729  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        5.670  -1.427   2.345  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        5.343  -2.286   1.113  0.00  0.00    +0.123 C 
ATOM     31  O   LIG    1        3.849  -3.558  -0.844  0.00  0.00    -0.270 OA
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  33
ATOM     32  N   LIG    1       -7.353  -1.803   3.484  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -6.663  -1.201   2.777  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 3