D0H0KA -OEChem-04152110352D 82 83 0 1 0 0 0 0 0999 V2000 5.2684 -2.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0583 -0.7703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5752 -3.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 2.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3929 -1.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 0.7107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6697 2.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 0.7107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 3.3825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 -2.1530 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0004 -2.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8665 -2.1530 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1344 -1.1530 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4273 -0.4459 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9017 -2.2893 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3544 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5034 -0.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7202 1.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 2.2271 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9449 2.4859 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0357 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 -0.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7543 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0357 0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2718 -3.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 1.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 3.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7678 0.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 0.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 3.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 2.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0357 3.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0357 2.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 1.7107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 -2.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6019 -3.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 -3.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 -1.7337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 -0.5449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9118 -0.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -2.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9158 -1.3747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6174 -0.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7929 -0.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 0.7913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -0.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 -1.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7407 -1.4014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 2.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 2.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6484 -3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2684 -4.2730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8884 -3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3047 -1.0993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9503 -0.0031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 0.7747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7677 0.3698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5938 1.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 0.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6810 -3.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0837 -4.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8626 -4.1695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 1.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3642 0.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8026 1.6805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7654 3.8903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 1.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6328 0.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 4.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5726 3.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7593 3.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 1.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4387 1.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2117 2.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 25 1 0 0 0 0 2 14 1 0 0 0 0 2 27 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 22 1 0 0 0 0 4 36 1 0 0 0 0 5 24 2 0 0 0 0 6 33 2 0 0 0 0 7 36 2 0 0 0 0 8 37 2 0 0 0 0 9 29 1 0 0 0 0 9 37 1 0 0 0 0 9 75 1 0 0 0 0 10 36 1 0 0 0 0 10 78 1 0 0 0 0 10 79 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 21 2 3 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 26 2 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 56 1 0 0 0 0 24 29 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 33 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 34 2 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 35 2 3 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 34 74 1 0 0 0 0 35 38 1 0 0 0 0 35 76 1 0 0 0 0 37 39 1 0 0 0 0 38 39 2 3 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 M END $$$$