B84UET -OEChem-04022111293D 90 91 0 1 0 0 0 0 0999 V2000 7.3628 -2.6168 0.0635 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4551 -0.2801 3.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 1.3650 1.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 -2.4734 -1.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 4.4656 -0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 4.0680 1.9629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2215 -1.1724 1.8154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0998 1.1583 -4.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 3.1458 -3.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1627 0.5619 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7303 -3.8007 0.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 -3.0299 2.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4901 2.1905 0.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3281 -0.4194 0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9525 2.2644 -0.7043 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 -2.1137 0.4723 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3660 1.6393 0.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 -1.4691 -0.0155 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2205 1.7704 1.7908 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6209 2.3666 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 3.5460 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 3.0380 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 0.2516 1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 1.9410 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 2.3449 -0.8835 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3340 -1.8691 0.5915 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9213 1.4084 -2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 -2.3468 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3786 -2.3752 -0.1127 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1102 -2.2015 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.8663 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 2.9714 -0.1649 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8353 -4.2647 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7345 3.3199 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8282 -2.0358 0.8396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 -1.5966 0.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7723 -0.7473 0.5034 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9929 3.9892 0.6631 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7170 2.0291 -3.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8239 0.5416 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5272 -3.9237 -2.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 -5.7628 -0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -1.5609 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4628 3.6198 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0108 -2.8456 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6337 -1.2250 -1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 2.1771 2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3132 1.6509 1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0535 2.6715 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 4.4055 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 3.8496 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7634 3.8546 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 2.4094 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 3.3889 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 0.1217 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -2.3250 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9849 1.1619 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3586 0.4678 -1.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3866 1.3521 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 -1.8728 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 -3.4284 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -1.9751 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -4.4369 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -4.1778 0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 2.9611 -1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9737 -1.8792 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -3.7757 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9204 -0.9683 1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7239 -2.5580 1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6186 -0.5298 1.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9174 4.9844 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 1.5114 1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -1.7383 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -4.3451 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 -2.8452 -2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5574 -4.3304 -2.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 -6.0202 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -6.0589 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2482 -6.3601 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9213 -0.9887 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 -1.8044 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6072 2.7028 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 3.4980 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9999 4.4071 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 4.4653 1.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 1.5340 -5.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -1.3760 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7022 -0.2881 -0.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8325 -1.1559 -1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 -4.6521 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 46 1 0 0 0 0 2 23 2 0 0 0 0 3 24 2 0 0 0 0 4 30 2 0 0 0 0 5 34 2 0 0 0 0 6 38 1 0 0 0 0 6 85 1 0 0 0 0 7 36 2 0 0 0 0 8 39 1 0 0 0 0 8 86 1 0 0 0 0 9 39 2 0 0 0 0 10 40 2 0 0 0 0 11 45 1 0 0 0 0 11 90 1 0 0 0 0 12 45 2 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 0 0 0 0 14 55 1 0 0 0 0 15 25 1 0 0 0 0 15 34 1 0 0 0 0 15 59 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 66 1 0 0 0 0 17 32 1 0 0 0 0 17 40 1 0 0 0 0 17 72 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 73 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 39 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 35 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 31 1 0 0 0 0 29 36 1 0 0 0 0 29 62 1 0 0 0 0 31 33 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 65 1 0 0 0 0 33 41 1 0 0 0 0 33 42 1 0 0 0 0 33 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 37 40 1 0 0 0 0 37 43 1 0 0 0 0 37 70 1 0 0 0 0 38 44 1 0 0 0 0 38 71 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 45 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 M END $$$$