REMARK  Name = BDB041283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.091   0.265  -0.122  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1        0.367  -0.788   0.795  0.00  0.00    +0.131 C 
ATOM      3  C   LIG    1        1.781  -0.739   0.165  0.00  0.00    +0.202 C 
ATOM      4  C   LIG    1        1.290   0.556  -0.528  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -0.945  -0.217  -1.229  0.00  0.00    +0.084 C 
ATOM      6  C   LIG    1       -0.447  -1.414  -2.062  0.00  0.00    +0.029 C 
BRANCH   5  16
ATOM      7  C   LIG    1       -7.030   0.353   0.978  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1       -6.474   1.761   0.754  0.00  0.00    +0.271 A 
ATOM      9  O   LIG    1       -7.151   2.750   0.993  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -5.190   1.823   0.277  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -4.796   2.740   0.126  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.449   0.667   0.021  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -5.033  -0.584   0.255  0.00  0.00    +0.088 A 
ATOM     14  C   LIG    1       -4.280  -1.730   0.007  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -2.967  -1.634  -0.471  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -2.381  -0.382  -0.722  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1       -3.142   0.773  -0.458  0.00  0.00    +0.033 A 
ATOM     18  N   LIG    1       -6.348  -0.728   0.735  0.00  0.00    -0.245 NA
BRANCH   7  20
ATOM     19  C   LIG    1       -9.432   0.372   0.326  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1       -8.451   0.248   1.477  0.00  0.00    +0.057 C 
ENDBRANCH   7  20
ENDBRANCH   5  16
ENDBRANCH   1   5
BRANCH   3  21
ATOM     21  O   LIG    1        2.868  -0.622   1.111  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.149  -0.463   0.650  0.00  0.00    +0.175 A 
ATOM     23  C   LIG    1        4.584  -0.471  -0.674  0.00  0.00    +0.256 A 
ATOM     24  F   LIG    1        3.702  -0.645  -1.670  0.00  0.00    -0.180 F 
ATOM     25  N   LIG    1        5.869  -0.304  -1.053  0.00  0.00    -0.211 NA
ATOM     26  C   LIG    1        6.778  -0.129  -0.066  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        6.448  -0.112   1.286  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        5.112  -0.281   1.641  0.00  0.00    +0.052 A 
BRANCH  26  29
ATOM     29  C   LIG    1        8.202   0.043  -0.501  0.00  0.00    +0.262 C 
ATOM     30  N   LIG    1        8.948   0.966   0.218  0.00  0.00    -0.313 N 
ATOM     31  H   LIG    1        8.458   1.642   0.789  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1       10.285   1.299  -0.207  0.00  0.00    +0.128 C 
ATOM     33  O   LIG    1        8.655  -0.594  -1.446  0.00  0.00    -0.269 OA
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6