L5DHQ2 -OEChem-05032300002D 39 43 0 1 0 0 0 0 0999 V2000 4.3466 -2.2954 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 9.1429 0.5413 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3681 1.7244 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 0.9496 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3427 -3.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 0.8945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 2.7061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9013 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 -0.9741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 -1.8420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 -0.6679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4279 -0.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -1.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 -0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 -0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9598 -0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 1.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1562 -1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8154 -0.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4998 -2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 -1.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1931 -2.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 2.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 3.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 3.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -2.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 -0.9069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 15 1 0 0 0 0 1 16 1 6 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 27 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 8 25 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 39 1 0 0 0 0 10 26 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 20 1 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 25 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 27 1 0 0 0 0 25 36 1 0 0 0 0 26 38 1 0 0 0 0 M END $$$$