REMARK  Name = BDB032672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148   0.928   0.763  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -1.024   1.671   1.900  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.057   2.529   1.780  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.574   2.290   0.573  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.157   1.302  -0.114  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.699  -0.758   1.811  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.265  -0.009   0.698  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.930  -0.169  -0.535  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -4.013  -1.046  -0.679  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -4.432  -1.773   0.439  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.780  -1.635   1.669  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -4.697  -1.200  -1.952  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -4.134  -0.988  -3.194  0.00  0.00    +0.113 A 
ATOM     14  N   LIG    1       -5.109  -1.255  -4.112  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -5.050  -1.202  -5.124  0.00  0.00    +0.188 HD
ATOM     16  N   LIG    1       -6.272  -1.636  -3.561  0.00  0.00    -0.182 NA
ATOM     17  C   LIG    1       -6.021  -1.602  -2.249  0.00  0.00    +0.142 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1       -2.547  -1.156   4.164  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.989  -0.612   2.975  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        1.688   2.995   0.150  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        2.130   3.595   0.842  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        2.746   2.437  -1.020  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        3.886   3.332  -1.038  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        1.973   2.231  -2.227  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.312   0.881  -0.369  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        3.227  -0.295  -1.123  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        3.633  -1.513  -0.572  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        4.162  -1.556   0.713  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        4.276  -0.382   1.460  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        3.850   0.844   0.934  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        2.684  -0.345  -2.376  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        3.703  -0.218  -3.371  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        3.920   2.028   1.622  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.375   1.995   2.970  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8