REMARK  Name = BDB028468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.568  -0.623  -2.167  0.00  0.00    +0.146 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.068  -1.817  -2.637  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.990  -1.800  -2.298  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.296   0.617  -2.499  0.00  0.00    +0.138 C 
BRANCH   4  13
ATOM      5  O   LIG    1       -2.477  -1.028  -1.912  0.00  0.00    -0.253 OA
ATOM      6  C   LIG    1       -2.434   0.075  -1.374  0.00  0.00    +0.302 C 
ATOM      7  N   LIG    1       -3.404   0.533  -0.497  0.00  0.00    -0.286 N 
ATOM      8  C   LIG    1       -3.273   1.746   0.315  0.00  0.00    +0.109 C 
ATOM      9  C   LIG    1       -4.494   2.018   1.187  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -4.853   0.814   2.054  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1       -4.667  -0.522   1.331  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1       -4.526  -0.350  -0.178  0.00  0.00    +0.109 C 
ATOM     13  N   LIG    1       -1.376   0.926  -1.567  0.00  0.00    -0.297 N 
ATOM     14  H   LIG    1       -1.631   1.900  -1.539  0.00  0.00    +0.150 HD
ENDBRANCH   4  13
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.910  -0.724  -0.659  0.00  0.00    +0.117 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.858  -1.803  -0.304  0.00  0.00    -0.295 NA
ATOM     17  C   LIG    1        3.233  -1.558  -0.770  0.00  0.00    +0.120 C 
ATOM     18  C   LIG    1        4.002  -0.533   0.038  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1        3.650  -0.256   1.373  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1        4.401   0.667   2.113  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.507   1.295   1.541  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.869   1.009   0.227  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.431  -0.901   1.985  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        5.124   0.096  -0.520  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        1.883  -2.064   1.144  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5