BA5BR3 -OEChem-04022109243D 44 46 0 0 0 0 0 0 0999 V2000 3.4754 2.1337 0.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 0.9428 -0.5513 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.7006 0.5244 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 1.6879 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 1.0596 1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1631 2.3786 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.1858 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 1.4611 -1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 0.1112 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -0.3671 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 1.0146 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8835 -1.5681 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 0.4000 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9221 -0.1067 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -2.0112 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2193 -0.0432 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1838 -1.2489 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 0.1768 -0.4677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -1.3954 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -0.8758 -0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.4480 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -2.1881 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.4432 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 1.8599 1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 0.4597 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 2.7262 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4171 3.2703 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8427 -0.7143 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 -0.1252 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.0454 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 0.6403 -1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 -0.7524 -1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 0.6844 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -0.2187 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9868 -2.1815 0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1249 1.3414 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9895 -2.9516 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1286 0.5505 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0657 -1.5942 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 1.1923 -0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -1.6367 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.6739 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 -3.4695 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2906 -3.0076 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$