LLN19I -OEChem-05032301302D 46 49 0 1 0 0 0 0 0999 V2000 7.0415 -0.2387 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2353 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 0.7608 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 -1.2392 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.1536 -0.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1536 -1.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 -2.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 2.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 -1.1388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -2.0388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0066 1.4813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5658 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0658 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0658 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -0.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -2.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1047 -0.6388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1047 -1.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9137 -0.0510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5658 -1.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 -1.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -1.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 0.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6484 -0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9582 0.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9582 -2.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6484 -2.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 0.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4832 -0.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4832 -2.2168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 -2.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0077 -0.0264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2336 -2.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7213 -1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2781 -0.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4153 0.3135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5493 0.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1846 -1.6467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1954 1.1592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6266 1.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 2.8850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 23 2 0 0 0 0 8 11 1 0 0 0 0 8 46 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 20 2 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 1 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 24 27 2 0 0 0 0 25 26 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$