B5E1BR -OEChem-04022112343D 44 46 0 0 0 0 0 0 0999 V2000 -1.0089 -1.1267 1.9852 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 -2.5140 -0.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0835 4.9408 0.0748 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6515 3.5771 -0.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -0.4829 -0.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.8689 -1.5682 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4759 3.7943 -0.2512 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3838 -0.3772 0.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 0.5629 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9209 0.3782 2.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8482 -1.7853 1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5363 0.3856 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 0.3543 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 -1.5647 -1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 -1.5049 -2.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6128 -1.0017 -0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6533 1.8621 0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 1.4313 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 2.9226 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 2.7099 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9095 -1.4048 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 -1.4470 1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9914 -1.7399 -1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2558 -1.8242 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 -2.1173 -0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -2.1595 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 1.4368 2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 0.2095 2.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4713 -0.0119 2.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 -2.2357 0.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -2.4673 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4407 -1.7353 2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -0.2025 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 1.3475 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 0.5594 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.5331 -2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -2.2467 -2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.1833 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 1.2499 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1062 3.9103 0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -1.7075 -2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3585 -1.8568 2.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0483 -2.3773 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2831 -2.4530 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 2 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 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 M CHG 2 3 -1 7 1 M END $$$$