REMARK  Name = BDB051984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.579  -0.036  -0.068  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1       -2.307   0.995  -0.959  0.00  0.00    +0.086 A 
ATOM      3  N   LIG    1       -1.007   1.022  -1.451  0.00  0.00    -0.240 NA
ATOM      4  C   LIG    1       -0.310   0.021  -0.957  0.00  0.00    +0.117 A 
ATOM      5  S   LIG    1       -1.171  -1.014   0.108  0.00  0.00    -0.068 S 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -6.087  -0.961   2.215  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -5.546  -1.910   1.349  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.397  -1.610   0.605  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -3.774  -0.360   0.717  0.00  0.00    -0.009 A 
ATOM     10  C   LIG    1       -4.323   0.587   1.589  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -5.470   0.287   2.329  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -7.853  -2.383   2.927  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -7.199  -1.122   2.993  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -3.251   2.026  -1.377  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.571   1.720  -1.738  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -5.449   2.733  -2.134  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.013   4.056  -2.184  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.699   4.369  -1.846  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.821   3.358  -1.448  0.00  0.00    +0.010 A 
ENDBRANCH   2  14
BRANCH   4  20
ATOM     20  C   LIG    1        1.125  -0.261  -1.292  0.00  0.00    +0.291 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.896  -0.009  -0.117  0.00  0.00    -0.485 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.241  -0.235  -0.195  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        3.947  -0.632  -1.330  0.00  0.00    +0.052 A 
ATOM     24  C   LIG    1        5.339  -0.832  -1.274  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1        6.080  -1.260  -2.512  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        6.027  -0.629  -0.064  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        5.316  -0.227   1.068  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        3.933  -0.033   0.998  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  O   LIG    1        7.378  -0.846  -0.108  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        8.103  -0.722   1.108  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        9.573  -1.038   0.907  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1       10.499  -0.528   1.520  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.815  -2.013   0.008  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1       10.790  -2.100   0.000  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 10