D00IWL -OEChem-04152111282D 41 40 0 0 0 0 0 0 0999 V2000 5.7331 2.5369 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.5369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2331 1.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2331 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1661 7.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 7.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 2.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 6.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 7.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 7.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 6.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 6.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1695 6.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 6.1820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1005 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3035 7.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 6.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1360 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9231 1.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 21 2 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 17 28 1 0 0 0 0 18 22 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$