REMARK  Name = BDB061643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.529   2.441   1.413  0.00  0.00    +0.184 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -2.646  -0.174  -2.313  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.479   0.038  -0.837  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -3.137  -0.752   0.120  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.861  -0.590   1.488  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -3.434  -1.494   2.540  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -2.031   0.467   1.895  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.438   1.324   0.960  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.653   1.087  -0.403  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.974  -1.754  -0.296  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.371  -1.413  -0.345  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.830  -1.583  -1.806  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.110  -2.497   0.464  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.848  -0.030   0.178  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.319   0.211   1.281  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.691   0.978  -0.707  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.956   1.775  -0.202  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        0.837   1.999   1.564  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        1.796   1.957   0.545  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        1.638   2.388  -0.588  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        2.896   1.326   1.107  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.505   1.024   2.367  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.306   1.386   2.698  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.140   1.034   0.495  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.138   0.319   1.183  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.370   0.022   0.583  0.00  0.00    +0.029 A 
ATOM     27  C   LIG    1        6.617   0.435  -0.723  0.00  0.00    +0.088 A 
ATOM     28  C   LIG    1        5.657   1.161  -1.423  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        4.429   1.450  -0.816  0.00  0.00    +0.028 A 
BRANCH  27  30
ATOM     30  S   LIG    1        8.181   0.081  -1.488  0.00  0.00    -0.006 S 
ATOM     31  O   LIG    1        8.475   1.171  -2.397  0.00  0.00    -0.170 OA
ATOM     32  O   LIG    1        9.110  -0.280  -0.433  0.00  0.00    -0.170 OA
ATOM     33  C   LIG    1        7.848  -1.373  -2.447  0.00  0.00    +0.200 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8