REMARK  Name = BDB058569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.868  -0.065  -0.763  0.00  0.00    +0.077 C 
ATOM      2  C   LIG    1        0.816  -1.315   0.123  0.00  0.00    +0.045 C 
ATOM      3  C   LIG    1       -0.592  -1.582   0.689  0.00  0.00    +0.081 C 
ATOM      4  N   LIG    1       -1.522  -0.526   0.299  0.00  0.00    -0.261 N 
ATOM      5  C   LIG    1       -1.646  -0.364  -1.149  0.00  0.00    +0.081 C 
ATOM      6  C   LIG    1       -2.270  -1.655  -1.716  0.00  0.00    +0.023 C 
ATOM      7  C   LIG    1       -1.484  -2.909  -1.304  0.00  0.00    +0.004 C 
ATOM      8  C   LIG    1       -2.524  -0.153   1.186  0.00  0.00    +0.404 C 
ATOM      9  O   LIG    1       -2.570  -0.524   2.351  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1       -1.167  -2.926   0.199  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -0.277  -0.056  -1.785  0.00  0.00    +0.045 C 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        2.142  -0.006  -1.481  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        2.239  -0.709  -2.200  0.00  0.00    +0.149 HD
BRANCH  12  25
ATOM     14  C   LIG    1        4.498  -0.205  -2.993  0.00  0.00    +0.155 C 
ATOM     15  N   LIG    1        4.505   0.307  -1.634  0.00  0.00    -0.282 N 
ATOM     16  C   LIG    1        5.748   0.686  -1.115  0.00  0.00    +0.279 A 
ATOM     17  O   LIG    1        6.822   0.565  -1.698  0.00  0.00    -0.265 OA
ATOM     18  C   LIG    1        5.641   1.236   0.190  0.00  0.00    +0.130 A 
ATOM     19  C   LIG    1        4.458   1.364   0.845  0.00  0.00    +0.097 A 
ATOM     20  C   LIG    1        4.687   1.942   2.102  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        6.051   2.160   2.181  0.00  0.00    +0.085 A 
ATOM     22  N   LIG    1        3.248   0.958   0.306  0.00  0.00    -0.214 NA
ATOM     23  N   LIG    1        6.624   1.724   1.006  0.00  0.00    -0.355 N 
ATOM     24  H   LIG    1        7.609   1.755   0.772  0.00  0.00    +0.166 HD
ATOM     25  C   LIG    1        3.311   0.441  -0.896  0.00  0.00    +0.199 A 
ENDBRANCH  12  25
ENDBRANCH   1  12
BRANCH   8  26
ATOM     26  O   LIG    1       -3.439   0.664   0.605  0.00  0.00    -0.445 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.571   1.175   1.355  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1       -4.117   2.063   2.518  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -5.342   2.042   0.348  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -5.488   0.039   1.822  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 4