REMARK  Name = BDB014644
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.706   1.864   1.860  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        1.572   1.355   1.155  0.00  0.00    +0.230 C 
ATOM      3  N   LIG    1        1.345   0.962  -0.150  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        2.170   0.703  -0.685  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.100   1.258  -0.841  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.044   0.322  -0.412  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.668  -1.022  -0.750  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.116  -1.216  -0.209  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.351   0.705  -1.144  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.541  -0.067  -0.723  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.627   0.110  -1.708  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.947  -0.506  -1.292  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.209  -0.811   0.055  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.449  -1.352   0.419  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.434  -1.565  -0.544  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.186  -1.246  -1.877  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.131  -0.616   1.089  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.950  -0.717  -2.250  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.018   0.327   0.611  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.013   1.130   1.627  0.00  0.00    +0.200 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.616  -0.014   0.919  0.00  0.00    -0.306 N 
ATOM     22  H   LIG    1        3.106  -0.878   1.078  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.963  -0.055   0.861  0.00  0.00    +0.194 A 
ATOM     24  N   LIG    1        5.603  -1.217   0.516  0.00  0.00    -0.326 N 
ATOM     25  H   LIG    1        5.153  -2.086   0.280  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        6.954  -0.985   0.527  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        7.062   0.354   0.884  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        8.334   0.934   0.991  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1        9.458   0.139   0.731  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.318  -1.205   0.373  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        8.056  -1.801   0.261  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        5.821   0.909   1.082  0.00  0.00    -0.215 NA
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8