B1THZ8 -OEChem-04022105162D 44 47 0 0 0 0 0 0 0999 V2000 7.8875 2.4692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7778 -1.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1955 -2.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 0.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 1.3477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 -0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9753 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3820 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5631 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3765 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5576 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9643 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7833 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1845 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1791 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4405 -0.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 -0.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3109 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9220 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5809 0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5830 -2.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2278 -2.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1143 -3.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7957 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2439 -1.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 17 2 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 26 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 29 1 0 0 0 0 11 16 1 0 0 0 0 11 18 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 23 2 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 26 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 M END $$$$