BD05ME -OEChem-04012112512D 47 50 0 0 0 0 0 0 0999 V2000 12.1491 2.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.3776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 1.2025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.6149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5708 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 1.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1930 2.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 2.2404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0444 0.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8021 -0.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7185 2.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5699 0.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1631 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 2.3299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 -0.4157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2525 1.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 1.9958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.8391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.7717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 22 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 18 2 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 23 2 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 26 1 0 0 0 0 23 25 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$