B01IUE -OEChem-04012118142D 40 42 0 1 0 0 0 0 0999 V2000 3.7601 4.3815 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 1.3815 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 1.3815 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 -3.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 5.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -3.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4411 -4.8799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 3.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -3.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9511 -2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8479 -3.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 2.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 2.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 2.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 2.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 2.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 3.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2367 3.7738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 4.4641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 -3.7098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 -5.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8245 -4.9447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 16 1 0 0 0 0 3 17 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 6 23 2 0 0 0 0 7 24 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 6 0 0 0 22 38 1 0 0 0 0 M END $$$$