D06GTS -OEChem-10191521492D 43 47 0 0 0 0 0 0 0999 V2000 10.3214 -0.4724 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4496 -1.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6164 1.3870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 1.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4534 -0.9690 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.1912 1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 2.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2835 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -0.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 1.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 3.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 3.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4669 3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 -3.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 0.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 -1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 2.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 1.7097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 3.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 4.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -2.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 4.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3263 -3.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -3.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -4.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 17 2 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 19 2 0 0 0 0 12 29 1 0 0 0 0 13 18 1 0 0 0 0 14 30 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 32 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 23 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 2 1 -1 5 1 M END $$$$