LANG71 -OEChem-05022323272D 38 40 0 0 0 0 0 0 0999 V2000 4.7404 5.4253 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0607 4.9185 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 4.1050 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5429 3.3892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 4.4882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4439 2.4992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 2.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3674 1.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7851 1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 0.9102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 0.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 1.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 3.5982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 4.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5484 3.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -0.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1850 0.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0385 -0.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9373 3.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 5 21 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 11 16 2 0 0 0 0 11 19 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 27 2 0 0 0 0 25 36 1 0 0 0 0 26 27 1 0 0 0 0 26 37 1 0 0 0 0 27 38 1 0 0 0 0 M END $$$$