REMARK  Name = BDB032673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.475  -0.155   0.329  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.385  -1.201   0.482  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.528  -0.772   1.130  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        1.350   0.528   1.365  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.096   0.964   0.888  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -1.886  -1.366  -1.362  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.752  -0.441  -0.314  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.906   0.234   0.129  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -4.163   0.001  -0.452  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -4.260  -0.915  -1.506  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.127  -1.588  -1.965  0.00  0.00    +0.047 A 
BRANCH   9  12
ATOM     12  C   LIG    1       -5.332   0.715   0.031  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -6.622   0.225   0.032  0.00  0.00    +0.116 A 
ATOM     14  N   LIG    1       -7.404   1.200   0.582  0.00  0.00    -0.274 N 
ATOM     15  C   LIG    1       -8.829   1.150   0.802  0.00  0.00    +0.172 C 
ATOM     16  N   LIG    1       -6.717   2.297   0.944  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -5.458   2.000   0.610  0.00  0.00    +0.142 A 
ENDBRANCH   9  12
BRANCH   6  19
ATOM     18  C   LIG    1       -0.792  -3.387  -1.604  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -0.777  -1.986  -1.881  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        2.269   1.356   1.988  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        2.146   2.362   1.951  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.847   0.908   2.336  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        4.530   2.136   2.700  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.780  -0.191   3.277  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.520   0.390   0.783  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.373   1.224  -0.336  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        4.842   0.815  -1.589  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.515  -0.397  -1.720  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.712  -1.203  -0.600  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        5.203  -0.821   0.648  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        3.720   2.427  -0.238  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        4.634   3.517  -0.396  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        5.503  -1.606   1.726  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        4.717  -2.800   1.733  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8