REMARK  Name = BDB037068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.081   0.540  -0.022  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.299  -0.510   0.376  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.621  -1.537   0.941  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -0.932  -0.195  -0.034  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.967   1.016  -0.704  0.00  0.00    +0.053 A 
ATOM      6  C   LIG    1        0.168   1.593  -1.236  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        1.367   0.896  -1.072  0.00  0.00    +0.163 A 
ATOM      8  O   LIG    1        2.485   1.474  -1.614  0.00  0.00    -0.484 OA
ATOM      9  C   LIG    1        3.548   0.525  -1.748  0.00  0.00    +0.277 C 
ATOM     10  C   LIG    1        3.768  -0.285  -0.459  0.00  0.00    +0.147 C 
ATOM     11  C   LIG    1        4.872  -1.333  -0.721  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        5.583  -1.716   0.572  0.00  0.00    +0.085 C 
ATOM     13  N   LIG    1        6.256  -0.582   1.203  0.00  0.00    -0.316 NA
ATOM     14  H   LIG    1        7.240  -0.554   0.938  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.635   0.714   0.936  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        4.126   0.603   0.757  0.00  0.00    +0.066 C 
ATOM     17  O   LIG    1        2.566  -1.026  -0.147  0.00  0.00    -0.479 OA
ATOM     18  C   LIG    1        1.407  -0.328  -0.368  0.00  0.00    +0.164 A 
ATOM     19  C   LIG    1        0.242  -0.897   0.150  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -2.355   1.471  -0.716  0.00  0.00    +0.255 C 
ATOM     21  O   LIG    1       -2.738   2.493  -1.251  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  28
ATOM     22  O   LIG    1       -8.332  -1.015   0.384  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -7.200  -0.547   0.307  0.00  0.00    +0.219 C 
ATOM     24  N   LIG    1       -6.421  -0.757  -0.804  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -6.814  -1.365  -1.510  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -5.117  -0.363  -1.009  0.00  0.00    +0.240 C 
ATOM     27  O   LIG    1       -4.512  -0.713  -2.020  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1       -4.533   0.574   0.054  0.00  0.00    +0.171 C 
ATOM     29  C   LIG    1       -5.099   0.228   1.428  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.616   0.336   1.386  0.00  0.00    +0.098 C 
ENDBRANCH   1  28
TORSDOF 1