BT4IU6 -OEChem-04042106043D 58 61 0 1 0 0 0 0 0999 V2000 4.4593 -2.5783 -0.8251 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9996 1.4743 0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3275 -0.2377 0.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 4.3336 0.0454 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -2.4344 -0.3011 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0961 -3.6534 -0.5649 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 -3.1640 1.3774 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6494 -0.3965 0.2571 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 2.2342 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1504 3.2347 -0.4126 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2940 1.0048 -0.1009 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9151 2.3298 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 0.9585 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 1.8883 1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 2.7476 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 3.8764 -1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 -1.3565 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -1.2951 0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 -2.5482 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.2889 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -3.6809 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 -2.7584 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -0.8280 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -2.1489 -0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 -0.2010 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 1.1557 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4058 -0.9263 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6601 1.7370 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7444 0.9249 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0771 0.5965 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 1.2031 -0.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9676 2.2186 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9159 2.7171 -2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 0.7557 -2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9943 0.1738 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 1.1716 2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7989 1.4571 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 2.7745 2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3844 2.0163 2.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 2.9314 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 3.6823 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 4.5440 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 3.1343 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2776 4.4805 -1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 -0.4378 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2454 4.9338 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8895 3.9742 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 0.7209 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 -4.6307 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 -2.9225 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4271 -3.3007 2.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0645 -3.3423 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 1.7798 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3835 -1.9859 0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7850 2.7934 -0.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0026 1.1796 0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9685 0.1744 1.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1609 -0.1972 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 3 45 1 0 0 0 0 4 10 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 21 2 0 0 0 0 7 22 1 0 0 0 0 7 51 1 0 0 0 0 7 52 1 0 0 0 0 8 27 1 0 0 0 0 8 29 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END $$$$