REMARK  Name = BDB021138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.882  -0.335  -0.197  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.905   0.533  -0.605  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.774   1.712  -0.327  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.004  -0.221  -1.470  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.448  -1.530  -1.490  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.196  -2.520  -2.203  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.328  -2.142  -2.925  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.787  -0.804  -2.906  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.141   0.190  -2.153  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        1.641  -1.602  -0.651  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        2.253  -2.628  -0.421  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        5.634  -0.645   3.803  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.835  -0.461   2.890  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        3.484  -0.592   3.093  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.204  -0.906   4.013  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        2.472  -0.474   2.166  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        1.307  -0.700   2.486  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.898   0.023   0.781  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.296  -0.489   0.445  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.272  -0.017   1.512  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -1.550   1.530  -2.151  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -0.992   2.068  -1.478  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.973   1.821  -1.978  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.463   1.429  -0.602  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.989   2.088   0.542  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.430   1.713   1.812  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.351   0.677   1.953  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.830   0.014   0.825  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.389   0.386  -0.446  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4