B1TIE8 -OEChem-04042106343D 53 57 0 1 0 0 0 0 0999 V2000 7.4313 0.1623 0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5152 -1.6162 -0.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8382 -1.7980 -1.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9414 -1.5026 1.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 0.7096 -1.3029 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8122 -0.0485 -1.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2091 -0.1850 -0.6875 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6464 1.8785 -0.4324 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3461 1.0819 -0.1272 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4445 -1.0764 0.3063 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1931 -1.4140 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3108 0.5920 0.0302 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5055 2.2308 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 1.7763 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 1.6671 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2248 -0.4193 0.7960 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3598 -2.1214 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6376 -1.7896 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1516 0.9118 -0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4333 -0.7132 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 1.6086 -0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6608 0.7792 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -0.1366 -0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 0.9268 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3123 -0.9051 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 0.1586 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8654 -0.7575 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 0.9973 -2.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 -0.1442 -2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6515 -0.8036 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4591 2.7765 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 0.7579 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -0.5167 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4094 -2.1403 -1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -1.8158 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9098 1.1319 -0.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 2.9987 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 2.0004 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0191 2.7353 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 2.0172 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5682 0.0009 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 -3.1021 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2857 -2.5346 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.0536 -0.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 0.6853 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 1.8172 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 2.5861 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 -0.0135 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 -0.2521 -1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 1.6356 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7367 0.2833 2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3273 -1.7636 -2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1864 -1.2662 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 48 1 0 0 0 0 2 20 2 0 0 0 0 3 25 1 0 0 0 0 3 52 1 0 0 0 0 4 27 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 19 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$