REMARK  Name = BDB026856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.719  -0.414  -0.768  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.866  -1.643   0.131  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.063  -1.831   1.270  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.191  -2.977   2.059  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        1.111  -3.963   1.714  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.895  -3.811   0.574  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        1.767  -2.666  -0.217  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.080   0.676  -0.145  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.500   1.153   0.544  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -0.593   1.661  -1.107  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.732   1.165  -2.016  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1       -5.251  -0.013   0.169  0.00  0.00    +0.105 A 
ATOM     13  C   LIG    1       -4.318  -0.981  -0.209  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.180  -0.596  -0.919  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.974   0.750  -1.260  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1       -3.927   1.707  -0.880  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.068   1.329  -0.171  0.00  0.00    +0.029 A 
BRANCH  12  18
ATOM     18  S   LIG    1       -6.689  -0.506   1.079  0.00  0.00    +0.056 S 
ATOM     19  O   LIG    1       -7.649   0.573   1.048  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1       -7.026  -1.860   0.711  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  N   LIG    1       -6.091  -0.529   2.656  0.00  0.00    -0.204 NA
ATOM     22  H   LIG    1       -6.575   0.189   3.197  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1       -5.079  -0.420   2.697  0.00  0.00    +0.144 HD
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  24
ATOM     24  C   LIG    1        2.070   0.139  -1.296  0.00  0.00    +0.186 C 
ATOM     25  O   LIG    1        2.248   0.217  -2.517  0.00  0.00    -0.290 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.114   0.613  -0.371  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        4.358   1.236  -0.741  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        5.054   1.522   0.435  0.00  0.00    +0.050 A 
ATOM     29  C   LIG    1        6.306   2.133   0.430  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        6.806   2.436  -0.826  0.00  0.00    +0.113 A 
ATOM     31  N   LIG    1        6.174   2.181  -1.991  0.00  0.00    -0.263 NA
ATOM     32  N   LIG    1        4.279   1.091   1.482  0.00  0.00    -0.360 N 
ATOM     33  H   LIG    1        4.540   1.159   2.457  0.00  0.00    +0.165 HD
ATOM     34  C   LIG    1        4.957   1.582  -1.962  0.00  0.00    +0.121 A 
ATOM     35  C   LIG    1        3.110   0.552   1.012  0.00  0.00    +0.095 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 9