REMARK  Name = BDB007928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.560   0.607  -0.556  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1        0.966  -0.720  -0.751  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        1.962  -1.026  -1.680  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.567  -0.010  -2.423  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        2.146   1.311  -2.254  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.148   1.618  -1.327  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.509   0.937   0.458  0.00  0.00    +0.155 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.919   0.886  -0.088  0.00  0.00    +0.312 C 
ATOM      9  O   LIG    1       -2.236   0.725  -1.258  0.00  0.00    -0.250 OA
BRANCH   8  10
ATOM     10  O   LIG    1       -2.796   1.070   0.943  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -4.194   0.983   0.600  0.00  0.00    +0.210 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.632  -0.461   0.779  0.00  0.00    -0.007 A 
ATOM     13  C   LIG    1       -4.540  -1.107   2.022  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -4.942  -2.437   2.165  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.434  -3.139   1.067  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.519  -2.514  -0.176  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.119  -1.185  -0.320  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
BRANCH  11  18
ATOM     18  C   LIG    1       -4.985   1.934   1.523  0.00  0.00    +0.076 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -5.660   4.251   0.808  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -4.721   3.385   1.209  0.00  0.00    -0.031 C 
ENDBRANCH  18  20
ENDBRANCH  11  18
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  S   LIG    1        3.869  -0.407  -3.572  0.00  0.00    -0.120 S 
BRANCH  21  22
ATOM     22  C   LIG    1        5.313   0.120  -2.580  0.00  0.00    +0.110 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.602  -0.813  -1.426  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1        5.295  -0.530  -0.080  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        5.511  -1.502   0.913  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.059  -2.742   0.590  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.389  -3.025  -0.730  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.161  -2.075  -1.726  0.00  0.00    +0.005 A 
BRANCH  24  29
ATOM     29  C   LIG    1        4.733   0.751   0.408  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1        3.900   0.879   1.286  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1        5.350   1.817  -0.129  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        4.934   2.576   0.331  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 12