LHG8B6 -OEChem-05022322162D 81 84 0 1 0 0 0 0 0999 V2000 2.6428 -5.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 -1.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 -0.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2434 1.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2160 3.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3628 4.6759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6686 4.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 -3.3956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -2.2823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -0.2823 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 2.3595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -1.7823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3858 -2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -2.4560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9696 -4.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -3.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 -3.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -5.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -3.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -3.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 -2.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 0.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -0.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2518 -4.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 -0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5198 -4.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9838 -1.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2923 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 3.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7786 2.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 -5.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9838 -0.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5218 3.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4728 3.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1670 3.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 4.0068 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -1.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8488 -2.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6537 -2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5066 -4.4717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -3.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3421 -2.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7315 -3.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -5.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2382 -5.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6014 -4.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -3.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7149 -0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -3.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 -2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 -1.7976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 -1.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3189 1.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -5.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1178 0.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -5.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -2.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2379 3.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 -0.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4876 2.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2672 2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4948 2.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 -5.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5208 -0.4723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8128 3.9361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0332 3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1817 2.5323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9614 2.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 5.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5397 4.9222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9754 2.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7567 3.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 4.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 14 2 1 1 0 0 0 2 59 1 0 0 0 0 3 17 2 0 0 0 0 4 33 2 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 6 77 1 0 0 0 0 7 42 1 0 0 0 0 7 78 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 12 9 1 1 0 0 0 9 14 1 0 0 0 0 9 46 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 33 1 0 0 0 0 35 11 1 6 0 0 0 11 70 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 43 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 15 20 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 29 1 0 0 0 0 22 55 1 0 0 0 0 23 30 1 0 0 0 0 23 56 1 0 0 0 0 24 31 2 0 0 0 0 24 57 1 0 0 0 0 25 32 2 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 26 33 1 0 0 0 0 27 34 2 0 0 0 0 27 60 1 0 0 0 0 28 34 1 0 0 0 0 28 61 1 0 0 0 0 29 37 2 0 0 0 0 29 62 1 0 0 0 0 30 38 2 0 0 0 0 30 63 1 0 0 0 0 31 37 1 0 0 0 0 31 64 1 0 0 0 0 32 38 1 0 0 0 0 32 65 1 0 0 0 0 34 67 1 0 0 0 0 35 36 1 0 0 0 0 35 42 1 0 0 0 0 35 66 1 0 0 0 0 36 39 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 39 40 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 40 75 1 0 0 0 0 40 76 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 M END $$$$