thox4oh22 31 34 0 0 0 0 0 0 0 0 2 V2000 -1.5568 1.3134 -1.2880 C 0 0 0 0 0 0 -1.5280 1.6421 0.1551 C 0 0 0 0 0 0 -2.1860 1.9842 -2.0791 O 0 0 0 0 0 0 -2.1250 2.5996 0.6002 O 0 0 0 0 0 0 -0.8978 0.9538 0.9240 O 0 5 0 0 0 0 -0.9567 0.3521 -1.7079 O 0 5 0 0 0 0 3.1582 -1.6565 -1.0368 C 0 0 0 0 0 0 2.3614 -2.8484 -1.3946 C 0 0 0 0 0 0 4.3455 -1.5837 -1.2742 O 0 0 0 0 0 0 2.8563 -3.8113 -1.9420 O 0 0 0 0 0 0 1.1858 -2.8812 -1.1218 O 0 5 0 0 0 0 2.6220 -0.7273 -0.4832 O 0 5 0 0 0 0 -2.7172 -1.9051 0.1087 C 0 0 0 0 0 0 -2.2629 -2.4054 -1.2073 C 0 0 0 0 0 0 -3.8441 -2.1042 0.5112 O 0 0 0 0 0 0 -2.9991 -3.0403 -1.9329 O 0 0 0 0 0 0 -1.1357 -2.1821 -1.5785 O 0 5 0 0 0 0 -1.9605 -1.2770 0.8109 O 0 5 0 0 0 0 1.8321 0.9367 1.8642 C 0 0 0 0 0 0 1.7829 1.7087 0.5999 C 0 0 0 0 0 0 2.3945 1.3706 2.8479 O 0 0 0 0 0 0 2.2970 2.8037 0.5076 O 0 0 0 0 0 0 1.2133 1.2688 -0.3731 O 0 5 0 0 0 0 1.3090 -0.1503 1.9524 O 0 5 0 0 0 0 0.2549 -0.9222 -0.0659 Th 0 0 0 0 0 0 1.8146 -2.5773 1.4405 O 0 0 0 0 0 0 -0.4364 -3.3430 0.9770 O 0 0 0 0 0 0 1.7859 -2.1990 2.3007 H 0 0 0 0 0 0 1.3772 -3.4044 1.4365 H 0 0 0 0 0 0 -0.1525 -3.2938 1.8700 H 0 0 0 0 0 0 0.0788 -3.9572 0.4855 H 0 0 0 0 0 0 3 1 2 0 0 4 2 2 0 0 1 2 1 0 0 2 5 1 0 0 1 6 1 0 0 9 7 2 0 0 10 8 2 0 0 7 8 1 0 0 8 11 1 0 0 7 12 1 0 0 15 13 2 0 0 16 14 2 0 0 13 14 1 0 0 14 17 1 0 0 13 18 1 0 0 21 19 2 0 0 22 20 2 0 0 19 20 1 0 0 20 23 1 0 0 19 24 1 0 0 6 25 1 0 0 5 25 1 0 0 23 25 1 0 0 24 25 1 0 0 12 25 1 0 0 11 25 1 0 0 17 25 1 0 0 18 25 1 0 0 26 25 1 0 0 27 25 1 0 0 26 28 1 0 0 26 29 1 0 0 27 30 1 0 0 27 31 1 0 0 M CHG 8 5 -1 6 -1 11 -1 12 -1 17 -1 18 -1 23 -1 24 -1 M END