REMARK  Name = BDB036469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.344  -0.965  -0.771  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1        0.926  -0.398  -1.070  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1        1.818  -1.203  -0.389  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1        3.199  -1.030  -0.388  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        3.708   0.043  -1.133  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.816   0.895  -1.843  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        1.133  -2.173   0.269  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.426   0.685  -1.818  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1       -0.221  -2.020   0.036  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.549  -0.450  -1.247  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.481   0.177  -2.043  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.986  -1.308  -1.297  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.892  -2.635  -0.734  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.444  -1.124  -2.663  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.737  -0.006   1.038  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -4.078  -0.365  -0.264  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -5.318   0.024  -0.791  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -6.200   0.789  -0.025  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.847   1.192   1.267  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -6.798   1.998   2.100  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.614   0.786   1.792  0.00  0.00    +0.051 A 
BRANCH  15  22
ATOM     22  O   LIG    1       -2.530  -0.320   1.594  0.00  0.00    -0.490 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -1.439  -1.411   3.420  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -2.642  -1.431   2.495  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH  15  22
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  25
ATOM     25  O   LIG    1        3.434   1.916  -2.536  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1        2.600   2.807  -3.267  0.00  0.00    +0.277 C 
ENDBRANCH   6  25
BRANCH   5  27
ATOM     27  N   LIG    1        5.097   0.330  -1.214  0.00  0.00    -0.295 N 
ATOM     28  H   LIG    1        5.237   1.146  -1.807  0.00  0.00    +0.154 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.183  -0.266  -0.675  0.00  0.00    +0.145 A 
ATOM     30  N   LIG    1        6.231  -1.336   0.123  0.00  0.00    -0.159 NA
ATOM     31  N   LIG    1        7.534  -1.518   0.373  0.00  0.00    -0.283 N 
ATOM     32  H   LIG    1        7.803  -2.293   0.970  0.00  0.00    +0.188 HD
ATOM     33  C   LIG    1        8.338  -0.602  -0.233  0.00  0.00    +0.107 A 
ATOM     34  C   LIG    1        7.490   0.229  -0.923  0.00  0.00    +0.064 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 8