REMARK  Name = BDB028723
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.316   0.589   1.932  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.821   0.784   1.107  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.837   1.012   2.019  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.169   1.250   1.684  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.477   1.296   0.315  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.465   1.085  -0.640  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        1.333   0.988   3.281  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.135   0.815  -0.264  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.033   0.766   3.227  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.632   0.343   1.545  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.257   0.522   2.334  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.011  -1.232   1.044  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.592  -1.925   2.175  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -0.892  -1.804   0.323  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.453  -0.207   0.246  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -3.317  -0.942  -0.126  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.197  -1.483  -1.414  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -4.210  -1.280  -2.348  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -5.336  -0.541  -1.996  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.457  -0.007  -0.708  0.00  0.00    +0.047 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -5.749   0.783   1.988  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.497   0.293   1.520  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  23
ATOM     23  O   LIG    1        0.137   0.663  -1.195  0.00  0.00    -0.494 OA
ATOM     24  C   LIG    1        0.473  -0.270  -2.223  0.00  0.00    +0.277 C 
ENDBRANCH   8  23
BRANCH   5  25
ATOM     25  C   LIG    1        4.898   1.555  -0.133  0.00  0.00    +0.202 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.610   0.312  -0.389  0.00  0.00    -0.179 N 
ATOM     27  N   LIG    1        5.598  -0.268  -1.613  0.00  0.00    -0.160 NA
ATOM     28  C   LIG    1        6.356  -1.348  -1.400  0.00  0.00    +0.156 A 
ATOM     29  C   LIG    1        6.810  -1.360  -0.075  0.00  0.00    +0.156 A 
ATOM     30  N   LIG    1        6.348  -0.287   0.574  0.00  0.00    -0.160 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7