REMARK  Name = BDB030641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.228   0.432   0.589  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1       -0.459  -0.463  -0.126  0.00  0.00    +0.258 C 
ATOM      3  O   LIG    1       -0.842  -1.371  -0.839  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.945  -0.092   0.066  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        0.950   1.061   0.823  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        2.117   1.706   1.187  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        3.321   1.145   0.752  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.338  -0.038  -0.028  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.126  -0.670  -0.368  0.00  0.00    +0.137 A 
ATOM     10  C   LIG    1       -0.433   1.411   1.123  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.721   2.410   1.755  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -3.355   1.500   1.445  0.00  0.00    +0.042 C 
ATOM     13  C   LIG    1       -2.713   0.458   0.502  0.00  0.00    +0.119 C 
ATOM     14  C   LIG    1       -3.065   0.888  -0.936  0.00  0.00    +0.243 C 
ATOM     15  O   LIG    1       -2.346   1.613  -1.624  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -4.292   0.488  -1.415  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.501   0.782  -2.360  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -5.127  -0.474  -0.906  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.111  -0.850  -1.538  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.816  -0.995   0.476  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -3.326  -0.933   0.787  0.00  0.00    +0.045 C 
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        4.614  -0.549  -0.482  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.653  -0.915   0.345  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1        6.654  -1.351  -0.476  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1        7.573  -1.698  -0.219  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1        6.333  -1.302  -1.780  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1        5.099  -0.794  -1.786  0.00  0.00    +0.142 A 
ENDBRANCH   8  22
BRANCH   9  28
ATOM     28  O   LIG    1        2.071  -1.832  -1.080  0.00  0.00    -0.505 OA
ATOM     29  H   LIG    1        2.958  -2.225  -1.156  0.00  0.00    +0.292 HD
ENDBRANCH   9  28
TORSDOF 3