BY4PK6 -OEChem-04012115322D 42 44 0 1 0 0 0 0 0999 V2000 7.1962 0.6478 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6478 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 -0.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1478 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.7404 -1.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 -2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 -2.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0081 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 -2.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 -2.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6148 -2.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 23 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 26 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 3 0 0 0 0 27 42 1 0 0 0 0 M END $$$$