REMARK  Name = BDB026461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.026  -0.957   2.697  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.143  -1.712   1.370  0.00  0.00    +0.049 C 
ATOM      3  N   LIG    1        0.569  -0.962   0.248  0.00  0.00    -0.276 N 
ATOM      4  C   LIG    1        1.381  -1.094  -0.885  0.00  0.00    +0.306 C 
ATOM      5  O   LIG    1        1.090  -0.733  -2.014  0.00  0.00    -0.252 OA
ATOM      6  N   LIG    1        2.568  -1.697  -0.490  0.00  0.00    -0.279 N 
ATOM      7  C   LIG    1        2.622  -1.841   0.947  0.00  0.00    +0.135 C 
ATOM      8  C   LIG    1        0.509  -3.108   1.487  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -0.858  -0.637   0.145  0.00  0.00    +0.142 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.108   0.801  -0.356  0.00  0.00    +0.146 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -1.009   0.908  -1.781  0.00  0.00    -0.389 OA
ATOM     12  H   LIG    1       -0.225   0.380  -2.052  0.00  0.00    +0.210 HD
ENDBRANCH  10  11
BRANCH  10  13
ATOM     13  C   LIG    1       -2.481   1.348   0.111  0.00  0.00    +0.117 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -3.630   0.424  -0.018  0.00  0.00    -0.295 NA
ATOM     15  C   LIG    1       -4.790   0.982   0.710  0.00  0.00    +0.120 C 
ATOM     16  C   LIG    1       -6.078   0.212   0.510  0.00  0.00    -0.030 A 
ATOM     17  C   LIG    1       -6.245  -0.639  -0.595  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1       -7.460  -1.312  -0.780  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -8.515  -1.118   0.110  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -8.361  -0.258   1.196  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.099  -0.865  -1.544  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -7.150   0.406   1.393  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.003   0.207  -1.428  0.00  0.00    +0.089 C 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   6  24
ATOM     24  C   LIG    1        3.733  -1.809  -1.342  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.627  -0.593  -1.264  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.364   0.527  -2.070  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        5.181   1.657  -2.007  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        6.257   1.674  -1.118  0.00  0.00    +0.088 A 
ATOM     29  C   LIG    1        6.536   0.569  -0.310  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.718  -0.560  -0.382  0.00  0.00    +0.007 A 
BRANCH  28  31
ATOM     31  S   LIG    1        7.296   3.112  -1.037  0.00  0.00    -0.006 S 
ATOM     32  O   LIG    1        7.304   3.724  -2.351  0.00  0.00    -0.170 OA
ATOM     33  O   LIG    1        8.535   2.723  -0.391  0.00  0.00    -0.170 OA
ATOM     34  C   LIG    1        6.416   4.184   0.069  0.00  0.00    +0.200 C 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 8