B6B1NV -OEChem-04022118163D 41 42 0 0 0 0 0 0 0999 V2000 -5.7991 -1.4494 0.1562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6753 -1.4068 -0.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9506 0.5020 -0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 -1.6959 -0.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2895 0.3757 0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 0.7657 0.2548 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 1.8421 -0.3463 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 2.1809 -0.3359 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 0.9542 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.0191 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 0.8286 0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2771 2.0573 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3276 -0.2118 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 1.9945 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.2746 -0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 0.0474 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 -0.0533 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 0.5153 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 -0.3083 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4463 -1.0859 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8591 -0.0936 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8950 -0.6944 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0318 -2.1751 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7324 -3.6337 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 2.9770 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -1.0837 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7214 0.9315 -0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5949 0.3304 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6632 2.8606 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 -1.2094 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 -1.0941 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 1.6128 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2376 -1.9533 0.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -1.3830 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0271 2.5710 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6539 -1.7654 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5588 -2.0752 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0941 -4.0498 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1877 -3.7450 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6546 -4.2189 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6749 -1.4506 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 21 2 0 0 0 0 4 22 1 0 0 0 0 4 41 1 0 0 0 0 5 22 2 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$