REMARK  Name = BDB044309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.047  -0.711  -0.045  0.00  0.00    -0.262 N 
ATOM      2  N   LIG    1       -2.127  -1.699   0.872  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1       -0.862  -2.110   1.008  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1        0.030  -1.389   0.187  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.766  -0.494  -0.487  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.398  -1.471   0.024  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        1.819  -0.849  -0.650  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        2.208  -2.399   0.660  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1        1.799  -3.293   1.396  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.641  -2.219   0.349  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1        4.384  -1.004   0.251  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        4.006   0.421   0.445  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        5.261   1.300   0.635  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        6.426   0.974  -0.356  0.00  0.00    -0.029 C 
ATOM     15  C   LIG    1        6.858  -0.521  -0.229  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        7.631   1.870  -0.017  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        5.996   1.280  -1.805  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        5.667  -1.392  -0.061  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        5.656  -2.750  -0.121  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        6.428  -3.383  -0.304  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        4.444  -3.276   0.112  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.249   0.012  -0.492  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.364   1.335   0.255  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -3.520   1.374   1.650  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -3.634   2.593   2.319  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.595   3.788   1.605  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.441   3.766   0.221  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.325   2.548  -0.452  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  C   LIG    1       -4.530  -0.849  -0.420  0.00  0.00    +0.047 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.708  -0.186  -1.151  0.00  0.00    +0.086 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -6.843  -2.206  -1.932  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -6.965  -0.945  -1.206  0.00  0.00    -0.308 NA
ATOM     33  C   LIG    1       -7.551  -1.160   0.115  0.00  0.00    +0.104 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 7