B4THA7 -OEChem-04042103353D 31 33 0 1 0 0 0 0 0999 V2000 -0.2227 0.0498 -1.7137 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 -0.8431 -0.5184 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -3.3435 0.1925 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0493 -1.3106 0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1738 -0.9237 -0.4858 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3514 -1.3988 0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 0.1235 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9191 -2.1129 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4414 -0.1931 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 0.8321 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 0.8582 0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 -1.9616 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0328 2.2375 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5648 0.9833 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 2.2538 0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 2.9434 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 1.3558 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7936 0.4501 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 -1.8238 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 -2.1120 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1187 -0.5892 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8467 0.3580 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8139 -1.9707 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9982 -1.4374 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 -2.9984 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 2.8011 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7242 1.5540 0.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8477 2.7993 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0479 4.0290 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2558 2.2425 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8738 0.4859 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 M END $$$$