L1U3IA -OEChem-05022321372D 86 87 0 1 0 0 0 0 0999 V2000 13.6527 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0187 3.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -0.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 1.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 1.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2604 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1527 1.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6527 0.4120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1527 2.2780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7866 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0187 2.7780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9206 0.4120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2866 2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8847 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9206 1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0546 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7507 2.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1886 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -1.0880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1264 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -1.5880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3226 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 -0.0880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9924 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 -1.0880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4565 0.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 1.4120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4193 -1.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8584 -1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8584 1.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 -1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -3.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -4.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7515 1.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8131 -0.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6157 1.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3881 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5556 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3837 0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5966 3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7497 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9766 2.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4862 1.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2833 1.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5406 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9206 2.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3006 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0546 -0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5556 4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0607 2.2411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2877 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4408 3.3150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1886 1.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9143 0.4946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -0.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 0.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3226 -0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 -1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 1.1020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 -1.3567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 -2.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -2.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8584 -0.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 -2.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 2.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4599 2.3869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -2.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9935 -1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7665 -1.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0765 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4565 2.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8365 1.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 2.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 -4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 -4.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 -4.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 10 1 0 0 0 0 13 2 1 1 0 0 0 2 55 1 0 0 0 0 3 25 1 0 0 0 0 3 36 1 0 0 0 0 21 4 1 6 0 0 0 4 79 1 0 0 0 0 23 5 1 6 0 0 0 5 37 1 0 0 0 0 29 6 1 1 0 0 0 6 83 1 0 0 0 0 7 36 2 0 0 0 0 8 37 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 10 12 1 6 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 41 1 0 0 0 0 12 14 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 44 1 0 0 0 0 14 17 1 1 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 2 0 0 0 0 18 54 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 24 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 30 1 0 0 0 0 22 26 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 31 1 0 0 0 0 23 62 1 0 0 0 0 24 28 2 0 0 0 0 24 64 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 6 0 0 0 25 63 1 0 0 0 0 26 29 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 32 1 0 0 0 0 27 34 1 1 0 0 0 27 67 1 0 0 0 0 28 35 1 0 0 0 0 29 33 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 32 2 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 36 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 35 80 1 0 0 0 0 35 81 1 0 0 0 0 35 82 1 0 0 0 0 37 38 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 M END $$$$