LB1ES9 -OEChem-05032300562D 81 85 0 1 0 0 0 0 0999 V2000 21.5866 1.4410 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.3691 -0.1457 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 -0.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2628 -0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8469 3.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6380 2.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0121 1.1698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0367 -1.7528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1944 -1.0798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5942 -1.7426 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9683 -2.7970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7679 -4.1226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 0.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9870 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 0.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5728 1.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6209 1.9631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6540 -0.8289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6123 1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2382 2.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0206 1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3948 0.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9950 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2211 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7946 -0.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4119 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7860 -0.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9864 0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2125 2.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1858 -1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5952 1.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4108 -2.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5685 -2.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5856 -1.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9597 -2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 -2.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9854 -2.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 -3.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3852 -3.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3681 -3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7593 -4.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9355 -0.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 0.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 1.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -0.0845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 -0.3734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5859 1.7721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 2.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 1.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 0.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8168 2.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 3.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0426 3.2125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0062 2.0441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8193 3.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7153 2.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0095 0.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 -2.2447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6175 0.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9838 3.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7972 0.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0233 -1.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6335 -1.7491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0011 -1.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5899 2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6097 4.2532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8056 -2.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4379 -3.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1832 -2.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1970 -3.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3569 -1.1698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7567 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 -3.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 -4.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 33 1 0 0 0 0 13 3 1 1 0 0 0 3 22 1 0 0 0 0 4 22 2 0 0 0 0 5 24 1 0 0 0 0 5 73 1 0 0 0 0 6 25 2 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 22 1 0 0 0 0 8 32 1 0 0 0 0 8 65 1 0 0 0 0 9 35 2 0 0 0 0 9 39 1 0 0 0 0 10 39 1 0 0 0 0 10 42 1 0 0 0 0 10 78 1 0 0 0 0 11 39 2 0 0 0 0 11 40 1 0 0 0 0 12 44 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 20 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 20 2 0 0 0 0 19 59 1 0 0 0 0 20 60 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 6 0 0 0 21 61 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 26 64 1 0 0 0 0 27 33 1 0 0 0 0 27 66 1 0 0 0 0 28 34 2 0 0 0 0 28 67 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 32 37 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 36 2 0 0 0 0 34 36 1 0 0 0 0 34 72 1 0 0 0 0 35 38 1 0 0 0 0 37 41 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 38 40 2 0 0 0 0 38 76 1 0 0 0 0 40 77 1 0 0 0 0 41 43 3 0 0 0 0 42 45 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 79 1 0 0 0 0 46 47 2 0 0 0 0 46 80 1 0 0 0 0 47 81 1 0 0 0 0 M END $$$$