B3WIJ7 -OEChem-04012115312D 42 44 0 1 0 0 0 0 0999 V2000 6.3301 0.6478 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6478 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 1.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 -0.3522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1478 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.8744 -1.1570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 0.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 -0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -2.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 -2.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1421 -2.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 2.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5713 -2.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -2.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7488 -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 21 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 1 0 0 0 0 18 22 2 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 2 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 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 $$$$