D0C5WK -OEChem-04152110483D 42 43 0 1 0 0 0 0 0999 V2000 3.0987 1.2403 0.2093 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5586 2.1275 -0.5956 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 2.1428 1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 1.6120 -0.9982 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 -0.2920 0.7163 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.3266 0.0151 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4419 -1.3827 -0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7641 0.8466 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 -1.6040 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -3.4844 -0.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 0.2908 0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 2.0733 -0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8331 -1.6062 1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -0.9669 -1.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -0.2929 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0607 -0.9439 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7197 -0.3044 -1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7674 0.3891 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 0.0622 0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9782 1.4931 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9689 0.9263 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4256 -2.7634 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3776 -1.9532 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -0.9734 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 0.0873 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7707 -0.5947 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 -4.0609 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -3.1359 -2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 -4.1686 -0.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5602 0.0600 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 1.0061 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0831 -0.6348 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4740 1.8325 -1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5107 2.8848 -0.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9150 2.4551 -1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -2.1071 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1021 -0.9689 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6437 -0.9436 2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 0.1711 -2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0032 -0.7658 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 1.9905 -1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9547 0.9085 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 M END $$$$