REMARK  Name = BDB044089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.037   0.458   0.001  0.00  0.00    +0.293 A 
ATOM      2  O   LIG    1        1.339   0.113  -0.242  0.00  0.00    -0.424 OA
ATOM      3  C   LIG    1        2.078   1.044   0.436  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1        1.180   1.899   1.054  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.661   2.955   1.836  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        3.047   3.098   1.963  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.924   2.212   1.321  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.473   1.140   0.520  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1       -0.106   1.521   0.763  0.00  0.00    -0.195 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.369   0.209  -0.169  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.492  -0.335   0.500  0.00  0.00    +0.097 A 
ATOM     12  C   LIG    1        6.332  -1.221  -0.173  0.00  0.00    +0.067 A 
ATOM     13  N   LIG    1        7.293  -1.554   0.748  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        8.067  -2.184   0.597  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        7.019  -0.887   1.906  0.00  0.00    +0.197 A 
ATOM     16  C   LIG    1        6.140  -1.616  -1.498  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.037  -1.074  -2.157  0.00  0.00    +0.003 A 
ATOM     18  N   LIG    1        5.945  -0.144   1.792  0.00  0.00    -0.235 NA
ATOM     19  C   LIG    1        4.173  -0.184  -1.512  0.00  0.00    +0.011 A 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -0.860  -0.354  -0.586  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1       -0.468  -1.128  -1.105  0.00  0.00    +0.157 HD
BRANCH  20  26
ATOM     22  C   LIG    1       -4.391   0.701   0.125  0.00  0.00    +0.167 A 
ATOM     23  C   LIG    1       -5.077  -0.321  -0.548  0.00  0.00    +0.204 A 
ATOM     24  C   LIG    1       -4.384  -1.316  -1.252  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -2.985  -1.300  -1.238  0.00  0.00    +0.073 A 
ATOM     26  C   LIG    1       -2.267  -0.301  -0.552  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -2.992   0.693   0.121  0.00  0.00    +0.073 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.502   2.751   1.343  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.168   1.639   0.757  0.00  0.00    -0.491 OA
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1       -6.454  -0.305  -0.586  0.00  0.00    -0.488 OA
ATOM     31  C   LIG    1       -6.974  -1.026   0.529  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
BRANCH  24  32
ATOM     32  O   LIG    1       -5.151  -2.255  -1.891  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -4.491  -3.150  -2.775  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH  20  26
ENDBRANCH   1  20
TORSDOF 6