REMARK  Name = BDB028620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.051  -0.895  -0.085  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.252  -0.982   0.460  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.970  -1.659  -0.505  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.322  -1.978  -0.397  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.977  -1.586   0.789  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.269  -0.895   1.790  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        1.150  -1.960  -1.547  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.915  -0.571   1.625  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.131  -1.498  -1.275  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.153  -0.333   0.567  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.994  -0.250   1.574  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -1.629   1.217   0.072  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -0.915   1.654  -1.107  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.548   2.008   1.288  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -5.663   1.408   0.304  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1       -4.300   1.547   0.563  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1       -3.349   0.997  -0.310  0.00  0.00    +0.153 A 
ATOM     18  C   LIG    1       -3.748   0.306  -1.459  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -5.118   0.175  -1.712  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1       -6.068   0.720  -0.837  0.00  0.00    +0.049 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -7.884   1.900   0.996  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -6.484   1.983   1.232  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  18  23
ATOM     23  O   LIG    1       -2.772  -0.192  -2.267  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.148  -1.009  -3.366  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.231   0.082   2.623  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.540   1.479   2.600  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        5.441  -1.915   0.981  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.286  -1.146   0.078  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        6.782  -1.721  -1.037  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        7.498  -0.747  -1.603  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.478   0.441  -0.850  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.691   0.150   0.239  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8