BAS1T4 -OEChem-04022106462D 55 58 0 1 0 0 0 0 0999 V2000 2.5369 -3.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 22 1 0 0 0 0 2 55 1 0 0 0 0 3 23 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 13 2 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 15 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 16 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 18 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 17 2 0 0 0 0 13 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 20 27 2 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$