B4A1LM -OEChem-04012116392D 28 31 0 0 0 0 0 0 0999 V2000 2.0080 1.0068 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 2.0415 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -1.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -1.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 -2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 2.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -2.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 -3.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 -2.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 3.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 3.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 2.6305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -2.6988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 24 1 0 0 0 0 4 7 2 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 17 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$