REMARK  Name = BDB033563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.214  -0.523  -1.570  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.147  -0.222  -1.300  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.621  -1.368  -0.694  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.927  -1.540  -0.249  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.803  -0.458  -0.440  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.344   0.729  -1.050  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.618  -2.279  -0.603  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.015   0.871  -1.493  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.539  -1.748  -1.150  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.093   0.364  -2.175  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.790   1.327  -2.307  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.741   0.125  -2.297  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -3.295   1.407  -2.697  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.938  -1.036  -3.138  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.916   0.724   0.369  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -3.279  -0.158  -0.651  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -4.078  -1.235  -0.320  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.489  -1.480   0.954  0.00  0.00    -0.216 NA
ATOM     19  C   LIG    1       -4.082  -0.647   1.937  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.518  -0.965   3.335  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.296   0.466   1.684  0.00  0.00    +0.071 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -2.874   3.029   0.236  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.127   1.816   0.113  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -4.561  -2.060  -1.304  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -5.136  -3.268  -0.821  0.00  0.00    +0.279 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.490   1.990  -2.083  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.398   3.028  -2.432  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        5.237  -0.569   0.029  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.334  -0.458   1.478  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.430  -1.571   2.236  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.515  -1.099   3.482  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.488   0.307   3.525  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.377   0.696   2.211  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8