L9DGP2 -OEChem-05022322392D 43 46 0 0 0 0 0 0 0999 V2000 7.1371 2.1201 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.8799 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 2.1201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 3.1201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 0.1201 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 2.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6371 1.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.1201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 2.6201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -2.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -1.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -3.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 2.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 1.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -2.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3444 -1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -3.3686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1198 -1.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -1.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 -1.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -1.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -3.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -3.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -3.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -3.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -2.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -3.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1361 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 3.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5401 2.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 M END $$$$