REMARK  Name = BDB044057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.822   0.937   0.155  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.942  -0.130   0.165  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1        0.570  -0.057   0.103  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        0.107  -1.361   0.184  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1        1.243  -2.317   0.257  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1        1.230  -3.527   0.311  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -1.178  -1.733   0.193  0.00  0.00    +0.062 C 
ATOM      8  C   LIG    1        2.408  -1.440   0.241  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        3.752  -1.752   0.300  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.655  -0.686   0.289  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.197   0.648   0.222  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.345  -0.839   0.098  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.522   0.347   0.827  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -3.706   1.082   0.743  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.738   0.653  -0.089  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -4.574  -0.518  -0.819  0.00  0.00    +0.118 A 
ATOM     17  C   LIG    1       -3.400  -1.263  -0.726  0.00  0.00    +0.057 A 
BRANCH  13  18
ATOM     18  O   LIG    1       -1.577   0.846   1.681  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -0.751   0.948   1.169  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
BRANCH  16  20
ATOM     20  O   LIG    1       -5.556  -0.983  -1.643  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -6.314  -0.377  -1.594  0.00  0.00    +0.292 HD
ENDBRANCH  16  20
ENDBRANCH   7  12
BRANCH   1  25
ATOM     22  N   LIG    1        3.111   3.291  -0.389  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.923   3.083  -0.953  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        2.692   4.207  -0.502  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        2.297   2.321   0.125  0.00  0.00    +0.245 C 
ATOM     26  O   LIG    1        1.172   2.590   0.526  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 4