LJKN95 -OEChem-05032301112D 39 43 0 1 0 0 0 0 0999 V2000 2.0000 2.8605 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -3.7851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 -3.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3697 0.5020 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7102 1.6582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 3.7730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3291 3.4175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7297 -1.3928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7102 -1.1962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3903 -2.1441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0692 -0.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0302 -0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 0.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5869 -3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6897 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 2.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6803 3.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2992 1.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0914 -1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5155 -1.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 -2.4191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 -0.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 -1.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 -0.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 0.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 0.9253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7763 0.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 -4.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5047 4.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 2.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4955 4.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 14 2 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 15 2 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 35 1 0 0 0 0 7 18 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 1 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 1 0 0 0 10 14 1 1 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 19 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$