REMARK  Name = BDB026395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.963  -0.866   1.865  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        1.938  -0.468   0.940  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        2.100   0.351  -0.195  0.00  0.00    +0.087 A 
ATOM      4  C   LIG    1        0.828   0.531  -0.760  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.626   1.309  -1.885  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        1.744   1.915  -2.462  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.024   1.736  -1.909  0.00  0.00    +0.021 A 
ATOM      8  N   LIG    1       -0.102  -0.184   0.014  0.00  0.00    -0.280 N 
ATOM      9  C   LIG    1        3.217   0.948  -0.760  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1        0.573  -0.775   1.101  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1        0.066  -1.420   2.006  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -1.542  -0.178  -0.156  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1       -2.192   0.748   0.880  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1       -1.658   1.766   1.318  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -3.491   0.449   1.225  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -3.929   1.080   1.882  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.296  -0.537   0.711  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -5.485  -0.605   1.011  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -3.669  -1.463  -0.305  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -2.167  -1.573  -0.097  0.00  0.00    +0.044 C 
ENDBRANCH   8  12
BRANCH   9  21
ATOM     21  C   LIG    1        4.537   0.799  -0.234  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        5.614   0.681   0.182  0.00  0.00    -0.191 NA
ENDBRANCH   9  21
TORSDOF 2