L1D7XJ -OEChem-05032300512D 86 89 0 1 0 0 0 0 0999 V2000 9.6448 4.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -4.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 -2.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 4.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1449 3.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5352 -0.5263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.1354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.5670 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5109 -0.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3147 -0.4330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3442 -1.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9593 -3.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -0.9330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9128 4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 4.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4062 0.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5377 -0.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.1854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3929 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -3.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5257 -3.3012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8517 3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 3.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 4.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1818 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8400 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 4.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3759 4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 3.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8209 4.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0478 4.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2009 5.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5529 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9329 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9739 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7799 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 12 1 0 0 0 0 1 39 1 0 0 0 0 2 46 1 0 0 0 0 16 3 1 6 0 0 0 3 63 1 0 0 0 0 4 17 2 0 0 0 0 5 24 2 0 0 0 0 6 36 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 49 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 18 11 1 6 0 0 0 11 24 1 0 0 0 0 11 62 1 0 0 0 0 12 33 1 0 0 0 0 12 38 1 0 0 0 0 13 36 1 0 0 0 0 37 13 1 6 0 0 0 13 73 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 6 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 18 21 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 28 66 1 0 0 0 0 29 32 1 0 0 0 0 29 67 1 0 0 0 0 30 33 1 0 0 0 0 30 68 1 0 0 0 0 31 34 2 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 71 1 0 0 0 0 37 40 1 0 0 0 0 37 41 1 0 0 0 0 37 72 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 80 1 0 0 0 0 41 81 1 0 0 0 0 41 82 1 0 0 0 0 42 44 1 0 0 0 0 42 83 1 0 0 0 0 43 45 2 0 0 0 0 43 84 1 0 0 0 0 44 46 2 0 0 0 0 44 85 1 0 0 0 0 45 46 1 0 0 0 0 45 86 1 0 0 0 0 M END $$$$