BE84AC -OEChem-04022117593D 93 97 0 1 0 0 0 0 0999 V2000 2.4733 2.1504 -1.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 -2.4466 -2.6654 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3392 -0.8667 -1.1174 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 0.2923 -2.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2314 1.3637 -0.8220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 1.8537 0.4687 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7480 0.2888 0.5269 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3237 2.3132 0.0589 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7737 1.8532 1.0419 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1634 -0.2678 0.9430 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2517 0.2866 -0.0476 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0000 2.5271 0.3783 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8247 2.4095 -0.4679 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5766 -0.2737 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 0.3200 1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 1.8419 -0.1249 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0555 3.8070 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4771 3.9269 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -1.8244 0.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 -0.3944 -1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 2.3566 2.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 0.1476 2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 2.5850 1.2044 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1114 -2.4433 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 -1.9172 -1.3537 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3068 2.4097 -1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 3.3186 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 1.1707 1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 1.9375 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7373 2.7072 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6330 0.2649 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8266 -2.0847 -1.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -2.6842 -0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -2.8900 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 -3.4633 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -3.4552 1.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -4.0146 -0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8894 -3.9984 2.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 -4.5578 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 -4.5497 1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 2.2509 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5452 -0.0592 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 1.8543 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2207 -0.0032 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 1.9784 -0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 3.5006 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7684 -0.1114 2.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -1.3558 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0907 -0.0457 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5071 -0.0978 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 2.2146 0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 4.1978 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 4.3872 0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8933 4.2372 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 4.6948 0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 -2.2488 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -2.1490 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 -0.0984 -1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0212 -0.0752 -2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 1.9574 3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 2.0543 2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6233 3.4479 2.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 1.2233 2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -0.1493 2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -0.3420 3.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 3.1676 2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2073 -3.5321 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -2.2514 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -2.2520 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1311 2.1567 -2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2829 3.5052 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7893 2.7868 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1049 4.3678 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 3.3431 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 0.4079 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7704 1.1372 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 0.8755 2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 2.1048 0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 2.4968 -1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 0.8796 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -2.1105 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5493 3.2926 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9005 2.7524 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0899 1.2118 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 -1.9269 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6751 -2.7650 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 -2.9590 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -2.6214 -1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 -3.0166 1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 -4.0337 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -3.9874 3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 -5.0065 -0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 -4.9746 2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 72 1 0 0 0 0 2 25 1 0 0 0 0 2 81 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 31 2 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 5 84 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 41 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 8 43 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 11 44 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 0 0 0 0 12 45 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 26 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 24 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 25 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 66 1 0 0 0 0 24 25 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 26 29 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 30 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 78 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 82 1 0 0 0 0 30 83 1 0 0 0 0 32 33 1 0 0 0 0 32 85 1 0 0 0 0 32 86 1 0 0 0 0 33 34 2 0 0 0 0 33 87 1 0 0 0 0 34 35 1 0 0 0 0 34 88 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 89 1 0 0 0 0 37 39 2 0 0 0 0 37 90 1 0 0 0 0 38 40 2 0 0 0 0 38 91 1 0 0 0 0 39 40 1 0 0 0 0 39 92 1 0 0 0 0 40 93 1 0 0 0 0 M END $$$$