BO2QI0 -OEChem-04022107483D 92 96 0 0 0 0 0 0 0999 V2000 -4.5388 2.5390 -0.7127 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 1.1349 -1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2107 1.9528 0.0865 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4487 0.6632 0.0687 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1244 2.7402 0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6848 0.6015 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6139 -0.0532 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7664 1.9415 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7794 2.0294 2.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1796 -0.3941 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8729 -0.0884 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 1.7492 2.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8703 1.0538 2.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8577 -0.3262 2.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6108 -0.2501 1.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3328 1.0875 2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8921 2.6926 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4453 0.8280 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5426 2.2618 -1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 0.9601 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4576 1.7128 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8558 0.6405 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 -0.8903 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 0.0194 -0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2881 -0.3658 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0211 1.0949 -1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 0.5833 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 1.4839 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 0.1945 -2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -2.2268 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 0.2483 -1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0477 0.0802 0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 0.6371 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -0.3087 -2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -3.3314 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -2.7244 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -3.5396 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 -3.1562 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1916 -2.7609 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -3.6244 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4894 -3.2292 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2546 -3.6609 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9334 3.1634 0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5583 3.5928 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2995 0.2483 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7771 0.5610 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9061 0.3591 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3094 -1.0924 -0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 2.6469 0.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 2.4431 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6897 1.5139 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1115 2.8017 2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0959 -0.2702 0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3182 -1.4094 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4738 0.8122 0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4876 -0.9317 0.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1824 1.1750 2.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9781 2.7339 2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2579 0.9336 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8538 1.4525 2.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3431 -1.0248 2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8868 -0.6958 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7986 -0.9623 2.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5121 -0.6741 2.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1557 1.7821 2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3376 0.9329 3.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8119 3.7640 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6795 2.5845 -1.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4249 -0.0516 -1.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6756 1.6775 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3195 2.8472 -2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5744 1.2024 -1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9779 1.8235 0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 0.0454 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 1.2708 -2.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8773 0.9467 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 1.9615 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.2361 -3.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 -0.2198 -2.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 0.0490 1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 0.4696 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 -0.6537 -2.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -3.1006 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 -4.2768 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6134 -3.8630 1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -2.6266 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -4.3157 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0223 -3.1356 -2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -2.4273 2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -3.9600 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 -3.2562 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 -4.0237 0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 10 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 11 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 12 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 13 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 14 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 11 56 1 0 0 0 0 12 16 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 13 14 1 0 0 0 0 13 59 1 0 0 0 0 13 60 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 16 1 0 0 0 0 15 63 1 0 0 0 0 15 64 1 0 0 0 0 16 65 1 0 0 0 0 16 66 1 0 0 0 0 17 19 1 0 0 0 0 17 67 1 0 0 0 0 17 68 1 0 0 0 0 18 20 1 0 0 0 0 18 69 1 0 0 0 0 18 70 1 0 0 0 0 19 71 1 0 0 0 0 19 72 1 0 0 0 0 20 73 1 0 0 0 0 20 74 1 0 0 0 0 21 26 2 0 0 0 0 21 28 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 2 0 0 0 0 24 31 2 0 0 0 0 24 33 1 0 0 0 0 25 32 2 0 0 0 0 25 34 1 0 0 0 0 26 31 1 0 0 0 0 26 75 1 0 0 0 0 27 32 1 0 0 0 0 27 76 1 0 0 0 0 28 33 2 0 0 0 0 28 77 1 0 0 0 0 29 34 2 0 0 0 0 29 78 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 31 79 1 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 34 82 1 0 0 0 0 35 37 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 38 40 1 0 0 0 0 38 88 1 0 0 0 0 39 41 2 0 0 0 0 39 89 1 0 0 0 0 40 42 2 0 0 0 0 40 90 1 0 0 0 0 41 42 1 0 0 0 0 41 91 1 0 0 0 0 42 92 1 0 0 0 0 M END $$$$