B4FWG6 -OEChem-04022103112D 48 51 0 0 0 0 0 0 0999 V2000 6.2619 0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4330 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 4.6274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0599 -4.6274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6103 4.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4135 -4.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3455 0.3717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.8831 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.3920 -3.8831 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6783 1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3455 -1.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 2.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0348 -2.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7027 -2.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1577 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1577 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0238 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0238 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3715 2.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4879 -1.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6523 -2.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1529 0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 2.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2496 -3.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 -2.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1577 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1577 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5607 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5607 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 36 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 23 2 0 0 0 0 14 20 1 0 0 0 0 14 24 2 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 22 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 4 3 -1 4 -1 9 1 10 1 M END $$$$