BTH68Q -OEChem-04022106102D 44 47 0 0 0 0 0 0 0999 V2000 4.6783 -3.8680 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.0055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 1.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2101 2.7003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -1.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 0.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 2.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 2.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 1.7498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 2.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 3.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1456 3.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4778 4.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.6916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -1.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -3.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 0.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.0234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6638 1.5729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 3.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0852 4.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7523 3.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6704 4.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0413 1.2101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 1.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9643 2.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 21 2 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 3 33 1 0 0 0 0 4 11 2 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 5 35 1 0 0 0 0 6 16 1 0 0 0 0 6 24 2 0 0 0 0 7 16 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 18 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 20 27 1 0 0 0 0 22 34 1 0 0 0 0 23 26 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$