B3TQL8 -OEChem-04022106592D 58 62 0 0 0 0 0 0 0999 V2000 16.2726 2.5630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 2.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7726 3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7726 1.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -2.1797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 3.0630 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -2.1863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3608 -1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3608 -1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -2.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6822 -0.9645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5463 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 0.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3165 -0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 1.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2104 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3165 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0764 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9425 0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5406 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1386 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 -1.5282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -0.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 -0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -3.2254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 -3.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -2.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0094 -0.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2517 -1.0546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3115 -1.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 -1.0916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 1.3959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3236 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4794 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2716 2.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 0.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0775 1.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4066 3.6830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8286 1.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6756 1.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4486 2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 34 1 0 0 0 0 2 12 2 0 0 0 0 3 22 1 0 0 0 0 3 28 1 0 0 0 0 4 25 2 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 31 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 3 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 24 2 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 50 1 0 0 0 0 29 32 1 0 0 0 0 29 51 1 0 0 0 0 30 33 2 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$