LGR98O -OEChem-05022322262D 40 43 0 0 0 0 0 0 0999 V2000 6.1253 -2.8184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 -0.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.2936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4022 0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9343 -2.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7433 -2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4343 -3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5323 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5449 -1.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 -0.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -0.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 2.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 0.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 1.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3330 -2.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7987 -4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6663 4.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 2.9136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0698 -4.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0693 3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 13 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$