BTU3S4 -OEChem-04022106233D 29 31 0 0 0 0 0 0 0999 V2000 -0.5107 0.8513 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 -2.7935 -0.2547 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 0.5035 0.0436 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 -0.3144 -0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5555 -0.4542 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8794 0.7594 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 -0.1019 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -1.5414 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 -1.6940 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -0.4879 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -1.0847 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2359 1.0832 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.9494 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4563 0.3005 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 -0.8838 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 1.2841 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6681 0.7041 0.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9929 1.9201 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 -2.4498 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4946 -1.4248 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1532 -2.0111 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6053 1.8629 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 2.9006 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5603 -1.6555 0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 2.2104 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7542 0.6856 0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5546 2.8454 0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 -0.2095 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 1.3617 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 13 2 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 16 2 0 0 0 0 12 22 1 0 0 0 0 13 18 1 0 0 0 0 13 23 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$