BI1QE8 -OEChem-04022101392D 51 55 0 0 0 0 0 0 0999 V2000 7.2098 -1.1613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -3.1645 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.8598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8863 1.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 -0.4921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9529 -1.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 3.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 -1.9044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 -2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8789 -0.4181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8571 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 -4.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2172 1.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 0.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 1.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5773 2.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2464 3.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9374 4.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2901 3.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9593 4.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8937 4.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9342 -1.7755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -1.2157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9634 0.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 -5.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 -0.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0474 1.8657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -4.5289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.4745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 2.5095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3523 4.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 4.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7677 5.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3544 3.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 4.5015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4329 4.4556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 13 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 21 2 0 0 0 0 15 36 1 0 0 0 0 16 22 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 24 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 30 32 1 0 0 0 0 30 46 1 0 0 0 0 31 32 2 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 M END $$$$