REMARK  Name = BDB033611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103  -0.663  -0.820  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.023  -0.041  -0.222  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.470   0.833  -1.195  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.570   1.671  -1.056  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        3.247   1.589   0.164  0.00  0.00    +0.138 A 
ATOM      6  C   LIG    1        2.810   0.736   1.189  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        0.666   0.742  -2.286  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.702  -0.111   1.010  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.326  -0.196  -2.052  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.877  -1.624  -0.184  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.713  -1.781   0.809  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.376  -2.135  -0.716  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.174  -2.779  -1.997  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.959  -2.877   0.388  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.349   0.274   0.168  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.325  -0.650  -0.888  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.062  -0.382  -2.045  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.797   0.806  -2.150  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.775   1.743  -1.119  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.048   1.479   0.039  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.527  -0.230   2.413  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.644   0.046   1.322  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.193  -1.300  -3.049  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.444  -0.915  -4.204  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.214  -0.975   1.955  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.121  -1.355   2.986  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  O   LIG    1        4.308   2.451   0.328  0.00  0.00    -0.432 OA
BRANCH  27  28
ATOM     28  C   LIG    1        5.480   2.032   0.815  0.00  0.00    +0.262 A 
ATOM     29  S   LIG    1        6.734   3.162   1.130  0.00  0.00    -0.037 S 
ATOM     30  C   LIG    1        7.749   1.879   1.640  0.00  0.00    +0.070 A 
ATOM     31  C   LIG    1        7.072   0.685   1.534  0.00  0.00    +0.122 A 
ATOM     32  N   LIG    1        5.775   0.774   1.066  0.00  0.00    -0.214 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8