LE86MH -OEChem-05022323112D 42 45 0 0 0 0 0 0 0999 V2000 2.5352 4.0789 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 -3.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 -0.5768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 -1.2349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.8136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -2.3564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 -0.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 1.7943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 0.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -1.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 1.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 1.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 1.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.1008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 3.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -3.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 0.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -4.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 -0.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.8604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 1.5696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 2.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -2.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 2.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8522 3.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 3.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 3.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 -0.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 1.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4057 -3.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7199 -4.6453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 -4.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 24 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 28 1 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 12 2 0 0 0 0 5 20 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 6 33 1 0 0 0 0 7 16 2 0 0 0 0 7 25 1 0 0 0 0 8 17 2 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 19 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$