REMARK  Name = BDB057999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.639   1.193   0.407  0.00  0.00    +0.075 A 
ATOM      2  N   LIG    1       -2.783   0.414   0.220  0.00  0.00    -0.231 N 
ATOM      3  N   LIG    1       -3.911   1.146   0.445  0.00  0.00    -0.159 NA
ATOM      4  C   LIG    1       -3.499   2.334   0.908  0.00  0.00    +0.170 A 
ATOM      5  C   LIG    1       -2.090   2.401   0.907  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.413   0.241  -0.564  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.044   0.485   0.758  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        0.715   0.795   1.073  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.261   0.851   0.072  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.114   0.617  -1.255  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.440   0.307  -1.565  0.00  0.00    +0.046 A 
BRANCH   6  12
ATOM     12  O   LIG    1        3.663  -0.079  -1.014  0.00  0.00    -0.489 OA
BRANCH  12  14
ATOM     13  C   LIG    1        6.007   0.284  -0.945  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1        4.769  -0.029  -0.107  0.00  0.00    +0.167 C 
ATOM     15  C   LIG    1        4.936  -1.379   0.585  0.00  0.00    +0.051 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  16
ATOM     16  C   LIG    1       -2.927  -0.966  -0.135  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1       -1.861  -1.873  -0.085  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -2.054  -3.213  -0.441  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.311  -3.663  -0.838  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.384  -2.778  -0.871  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.196  -1.439  -0.517  0.00  0.00    +0.028 A 
ENDBRANCH   2  16
BRANCH   4  22
ATOM     22  C   LIG    1       -4.439   3.380   1.314  0.00  0.00    +0.357 C 
ATOM     23  O   LIG    1       -5.662   3.318   1.296  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -3.846   4.520   1.752  0.00  0.00    -0.476 OA
ATOM     25  H   LIG    1       -4.618   5.083   1.970  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 6