LD3RL2 -OEChem-05022323402D 46 49 0 0 0 0 0 0 0999 V2000 4.0015 -1.4357 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7663 2.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0342 1.5588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5701 -0.4412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 -0.4412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 1.0588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5233 -0.7776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -2.5572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0342 2.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9002 3.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7663 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1682 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 0.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 1.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9846 0.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8222 3.1414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4236 2.4511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5017 0.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 0.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 3.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5017 3.5337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 0.9762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3769 1.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 2.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7051 -0.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8992 1.3688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -1.0612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 1.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 0.9511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8381 2.1788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 1.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 1.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3781 0.8148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -3.0588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 26 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 18 1 0 0 0 0 4 22 2 0 0 0 0 5 19 2 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 6 24 2 0 0 0 0 7 23 1 0 0 0 0 7 26 2 0 0 0 0 8 26 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 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 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 2 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$