CRYST1 8.129 6.609 8.868 90.00 97.54 90.00 SCALE1 0.123022 0.000000 0.016273 0.000000 SCALE2 0.000000 0.151307 0.000000 0.000000 SCALE3 0.000000 0.000000 0.113750 0.000000 ATOM 1 S 0 1.373 1.652 4.114 0.500 0.88 ATOM 2 O1 0 1.797 1.652 2.599 0.500 1.14 ATOM 3 O2 0 2.276 1.652 0.103 0.500 1.17 ATOM 4 O3 0 1.783 0.430 4.734 1.000 1.45 ATOM 5 O4 0 8.338 1.652 -1.716 0.500 1.50 ATOM 6 H4O 0 8.825 1.652 -1.227 0.500 2.29 ATOM 7 C1 0 3.209 1.652 2.290 0.500 0.94 ATOM 8 H1 0 3.624 0.896 2.638 1.000 1.50 ATOM 9 C2 0 3.298 1.652 0.774 0.500 0.87 ATOM 10 C3 0 4.640 1.652 0.166 0.500 0.89 ATOM 11 C4 0 4.753 1.652 -1.231 0.500 0.92 ATOM 12 H4 0 4.016 1.652 -1.788 0.500 3.23 ATOM 13 C5 0 5.987 1.652 -1.845 0.500 1.00 ATOM 14 H5 0 6.090 1.652 -2.794 0.500 1.42 ATOM 15 C6 0 7.148 1.652 -1.060 0.500 1.03 ATOM 16 C7 0 7.054 1.652 0.329 0.500 1.23 ATOM 17 H7 0 7.761 1.652 0.810 0.500 2.59 ATOM 18 C8 0 5.807 1.652 0.935 0.500 1.11 ATOM 19 H8 0 5.805 1.652 1.933 0.500 2.17 ATOM 20 C9 0 -0.348 1.652 3.835 0.500 1.21 ATOM 21 H9A 0 -0.758 1.652 4.716 0.500 1.77 ATOM 22 H9B 0 -0.609 0.859 3.351 1.000 1.74