REMARK  Name = BDB033584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.436  -2.550   1.213  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.580  -1.709   0.703  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.752  -2.303   1.141  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.042  -1.835   0.853  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.159  -0.662   0.075  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        1.988  -0.037  -0.356  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        1.812   1.237  -1.105  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        0.341   1.098  -1.489  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1       -0.310   0.254  -0.513  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        1.447  -3.387   1.901  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        0.724  -0.542  -0.044  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1        0.071  -3.521   1.982  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.815  -2.447   1.075  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -2.328  -3.119   1.643  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.540  -2.368  -0.450  0.00  0.00    +0.082 S 
ATOM     16  O   LIG    1       -1.497  -2.555  -1.438  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -3.662  -3.286  -0.390  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.771  -0.106   0.562  0.00  0.00    +0.153 A 
ATOM     19  C   LIG    1       -3.222  -0.750  -0.555  0.00  0.00    +0.211 A 
ATOM     20  C   LIG    1       -3.223  -0.085  -1.774  0.00  0.00    +0.246 A 
ATOM     21  N   LIG    1       -3.684   1.183  -1.921  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1       -4.172   1.796  -0.828  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1       -4.247   1.198   0.417  0.00  0.00    +0.067 A 
BRANCH  18  25
ATOM     24  C   LIG    1       -4.280  -0.119   2.904  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.856  -0.809   1.734  0.00  0.00    -0.493 OA
ENDBRANCH  18  25
BRANCH  20  26
ATOM     26  O   LIG    1       -2.799  -0.738  -2.907  0.00  0.00    -0.478 OA
ATOM     27  C   LIG    1       -2.796   0.061  -4.083  0.00  0.00    +0.279 C 
ENDBRANCH  20  26
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.524  -0.107  -0.251  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        4.832   1.080   0.535  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        4.870   2.293  -0.058  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.208   3.120   0.935  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        5.400   2.445   2.154  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.159   1.123   1.862  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7