D0D3DU -OEChem-04152122292D 55 55 0 1 0 0 0 0 0999 V2000 15.5721 -4.0871 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 16.4554 0.4096 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.1196 -1.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5875 -0.0871 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.7273 1.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5759 -3.0871 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.8439 -3.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.9396 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.9914 0.4229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 1.4324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0290 3.5017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.4671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -0.0804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8516 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 1.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7157 -1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1234 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -0.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 2.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7234 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 2.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 -2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8579 0.5396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -0.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6373 -1.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 0.9695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3259 -1.6938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9300 -1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 0.1283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 2.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3890 -0.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 1.7375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2909 2.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6733 3.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0509 2.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 22 2 0 0 0 0 4 29 1 0 0 0 0 5 29 2 0 0 0 0 6 32 1 0 0 0 0 7 32 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 16 9 1 6 0 0 0 9 22 1 0 0 0 0 9 41 1 0 0 0 0 10 25 1 0 0 0 0 10 31 2 0 0 0 0 11 30 1 0 0 0 0 11 33 2 0 0 0 0 12 33 1 0 0 0 0 12 35 2 0 0 0 0 13 34 2 0 0 0 0 13 35 1 0 0 0 0 14 34 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 35 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 32 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 2 0 0 0 0 24 45 1 0 0 0 0 25 30 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 30 51 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 M CHG 4 1 1 2 1 4 -1 6 -1 M END $$$$